cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde

C42H63N4O8P — CID 143750348

IUPACcyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde
SMILESC=CC1C[C@]1(NC=O)P(=O)(O)CC.CC(C)C.CC1CCCN1C=O.CCNC(=O)OC1CCCC1.COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C16H13NO2.C8H14NO3P.C8H15NO2.C6H11NO.C4H10/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-3-7-5-8(7,9-6-10)13(11,12)4-2;1-2-9-8(10)11-7-5-3-4-6-7;1-6-3-2-4-7(6)5-8;1-4(2)3/h2-10H,1H3,(H,17,18);3,6-7H,1,4-5H2,2H3,(H,9,10)(H,11,12);7H,2-6H2,1H3,(H,9,10);5-6H,2-4H2,1H3;4H,1-3H3/t;7?,8-;;;/m.0.../s1
InChIKeyHDSDBMYCRVMRRM-QMZSZCRNSA-N
MW782.96 g/mol
LogP8.09
Rot. Bonds10

About cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde

cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde (PubChem CID 143750348) has the molecular formula C42H63N4O8P and a molecular weight of 782.96 g/mol. Its IUPAC name is cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Namecyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde
PubChem CID143750348
Molecular FormulaC42H63N4O8P
Molecular Weight782.96 g/mol
Exact Mass782.44
IUPAC Namecyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde
SMILESC=CC1C[C@]1(NC=O)P(=O)(O)CC.CC(C)C.CC1CCCN1C=O.CCNC(=O)OC1CCCC1.COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C16H13NO2.C8H14NO3P.C8H15NO2.C6H11NO.C4H10/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-3-7-5-8(7,9-6-10)13(11,12)4-2;1-2-9-8(10)11-7-5-3-4-6-7;1-6-3-2-4-7(6)5-8;1-4(2)3/h2-10H,1H3,(H,17,18);3,6-7H,1,4-5H2,2H3,(H,9,10)(H,11,12);7H,2-6H2,1H3,(H,9,10);5-6H,2-4H2,1H3;4H,1-3H3/t;7?,8-;;;/m.0.../s1
InChIKeyHDSDBMYCRVMRRM-QMZSZCRNSA-N
XLogP8.09
TPSA167.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.96
LogP ≤ 58.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde?
The IUPAC name of cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde (CID 143750348) is cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde?
The canonical SMILES for cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde is C=CC1C[C@]1(NC=O)P(=O)(O)CC.CC(C)C.CC1CCCN1C=O.CCNC(=O)OC1CCCC1.COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde?
The InChIKey is HDSDBMYCRVMRRM-QMZSZCRNSA-N. The full InChI is InChI=1S/C16H13NO2.C8H14NO3P.C8H15NO2.C6H11NO.C4H10/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-3-7-5-8(7,9-6-10)13(11,12)4-2;1-2-9-8(10)11-7-5-3-4-6-7;1-6-3-2-4-7(6)5-8;1-4(2)3/h2-10H,1H3,(H,17,18);3,6-7H,1,4-5H2,2H3,(H,9,10)(H,11,12);7H,2-6H2,1H3,(H,9,10);5-6H,2-4H2,1H3;4H,1-3H3/t;7?,8-;;;/m.0.../s1.
What are the key properties of cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde?
cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde has a molecular weight of 782.96 g/mol, XLogP of 8.09, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-ethylcarbamate;[(1S)-2-ethenyl-1-formamidocyclopropyl]-ethylphosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 143750348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).