cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine

C42H65N4O8P — CID 143605849

IUPACcyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine
SMILESC=CC(C)C[C@H](NC=O)P(=O)(O)CC.CC(C)C.CC1CCCN1.COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1.O=CCNC(=O)OC1CCCC1
InChIInChI=1S/C16H13NO2.C9H18NO3P.C8H13NO3.C5H11N.C4H10/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-4-8(3)6-9(10-7-11)14(12,13)5-2;10-6-5-9-8(11)12-7-3-1-2-4-7;1-5-3-2-4-6-5;1-4(2)3/h2-10H,1H3,(H,17,18);4,7-9H,1,5-6H2,2-3H3,(H,10,11)(H,12,13);6-7H,1-5H2,(H,9,11);5-6H,2-4H2,1H3;4H,1-3H3/t;8?,9-;;;/m.1.../s1
InChIKeyFZQKOIIOLCJMNY-XMQLSOCOSA-N
MW784.98 g/mol
LogP8.04
Rot. Bonds12

About cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine

cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine (PubChem CID 143605849) has the molecular formula C42H65N4O8P and a molecular weight of 784.98 g/mol. Its IUPAC name is cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine.

Molecular Properties

Compound Namecyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine
PubChem CID143605849
Molecular FormulaC42H65N4O8P
Molecular Weight784.98 g/mol
Exact Mass784.45
IUPAC Namecyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine
SMILESC=CC(C)C[C@H](NC=O)P(=O)(O)CC.CC(C)C.CC1CCCN1.COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1.O=CCNC(=O)OC1CCCC1
InChIInChI=1S/C16H13NO2.C9H18NO3P.C8H13NO3.C5H11N.C4H10/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-4-8(3)6-9(10-7-11)14(12,13)5-2;10-6-5-9-8(11)12-7-3-1-2-4-7;1-5-3-2-4-6-5;1-4(2)3/h2-10H,1H3,(H,17,18);4,7-9H,1,5-6H2,2-3H3,(H,10,11)(H,12,13);6-7H,1-5H2,(H,9,11);5-6H,2-4H2,1H3;4H,1-3H3/t;8?,9-;;;/m.1.../s1
InChIKeyFZQKOIIOLCJMNY-XMQLSOCOSA-N
XLogP8.04
TPSA175.92 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.98
LogP ≤ 58.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine?
The IUPAC name of cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine (CID 143605849) is cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine.
What is the SMILES notation for cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine?
The canonical SMILES for cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine is C=CC(C)C[C@H](NC=O)P(=O)(O)CC.CC(C)C.CC1CCCN1.COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1.O=CCNC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine?
The InChIKey is FZQKOIIOLCJMNY-XMQLSOCOSA-N. The full InChI is InChI=1S/C16H13NO2.C9H18NO3P.C8H13NO3.C5H11N.C4H10/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-4-8(3)6-9(10-7-11)14(12,13)5-2;10-6-5-9-8(11)12-7-3-1-2-4-7;1-5-3-2-4-6-5;1-4(2)3/h2-10H,1H3,(H,17,18);4,7-9H,1,5-6H2,2-3H3,(H,10,11)(H,12,13);6-7H,1-5H2,(H,9,11);5-6H,2-4H2,1H3;4H,1-3H3/t;8?,9-;;;/m.1.../s1.
What are the key properties of cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine?
cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine has a molecular weight of 784.98 g/mol, XLogP of 8.04, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(2-oxoethyl)carbamate;ethyl-[(1R)-1-formamido-3-methylpent-4-enyl]phosphinic acid;7-methoxy-2-phenyl-1H-quinolin-4-one;2-methylpropane;2-methylpyrrolidine is sourced from PubChem (CID 143605849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).