cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate

C43H62N6O9S — CID 142269550

IUPACcyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OC.CC(NC(=O)OC1CCCC1)C(C)(C)C.COc1ccc2c(=O)cc(-c3csc(NC(=O)C(C)(C)C)n3)[nH]c2c1.NC(=O)C1CCCN1C=O
InChIInChI=1S/C18H19N3O3S.C12H23NO2.C7H10O2.C6H10N2O2/c1-18(2,3)16(23)21-17-20-14(9-25-17)13-8-15(22)11-6-5-10(24-4)7-12(11)19-13;1-9(12(2,3)4)13-11(14)15-10-7-5-6-8-10;1-3-5-4-6(5)7(8)9-2;7-6(10)5-2-1-3-8(5)4-9/h5-9H,1-4H3,(H,19,22)(H,20,21,23);9-10H,5-8H2,1-4H3,(H,13,14);3,5-6H,1,4H2,2H3;4-5H,1-3H2,(H2,7,10)
InChIKeyPTEFGBCJDYHCIG-UHFFFAOYSA-N
MW839.07 g/mol
LogP6.81
Rot. Bonds9

About cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate

cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate (PubChem CID 142269550) has the molecular formula C43H62N6O9S and a molecular weight of 839.07 g/mol. Its IUPAC name is cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate
PubChem CID142269550
Molecular FormulaC43H62N6O9S
Molecular Weight839.07 g/mol
Exact Mass838.43
IUPAC Namecyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OC.CC(NC(=O)OC1CCCC1)C(C)(C)C.COc1ccc2c(=O)cc(-c3csc(NC(=O)C(C)(C)C)n3)[nH]c2c1.NC(=O)C1CCCN1C=O
InChIInChI=1S/C18H19N3O3S.C12H23NO2.C7H10O2.C6H10N2O2/c1-18(2,3)16(23)21-17-20-14(9-25-17)13-8-15(22)11-6-5-10(24-4)7-12(11)19-13;1-9(12(2,3)4)13-11(14)15-10-7-5-6-8-10;1-3-5-4-6(5)7(8)9-2;7-6(10)5-2-1-3-8(5)4-9/h5-9H,1-4H3,(H,19,22)(H,20,21,23);9-10H,5-8H2,1-4H3,(H,13,14);3,5-6H,1,4H2,2H3;4-5H,1-3H2,(H2,7,10)
InChIKeyPTEFGBCJDYHCIG-UHFFFAOYSA-N
XLogP6.81
TPSA212.11 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.07
LogP ≤ 56.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate (CID 142269550) is cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate is C=CC1CC1C(=O)OC.CC(NC(=O)OC1CCCC1)C(C)(C)C.COc1ccc2c(=O)cc(-c3csc(NC(=O)C(C)(C)C)n3)[nH]c2c1.NC(=O)C1CCCN1C=O.
What is the InChIKey of cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate?
The InChIKey is PTEFGBCJDYHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S.C12H23NO2.C7H10O2.C6H10N2O2/c1-18(2,3)16(23)21-17-20-14(9-25-17)13-8-15(22)11-6-5-10(24-4)7-12(11)19-13;1-9(12(2,3)4)13-11(14)15-10-7-5-6-8-10;1-3-5-4-6(5)7(8)9-2;7-6(10)5-2-1-3-8(5)4-9/h5-9H,1-4H3,(H,19,22)(H,20,21,23);9-10H,5-8H2,1-4H3,(H,13,14);3,5-6H,1,4H2,2H3;4-5H,1-3H2,(H2,7,10).
What are the key properties of cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate?
cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate has a molecular weight of 839.07 g/mol, XLogP of 6.81, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(3,3-dimethylbutan-2-yl)carbamate;1-formylpyrrolidine-2-carboxamide;N-[4-(7-methoxy-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;methyl 2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 142269550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).