N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide

C15H14N2O4 — CID 5102257

IUPACN-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CCC(=O)N3)ccc12
InChIInChI=1S/C15H14N2O4/c1-8-6-14(19)21-12-7-9(2-3-10(8)12)16-15(20)11-4-5-13(18)17-11/h2-3,6-7,11H,4-5H2,1H3,(H,16,20)(H,17,18)
InChIKeyGMVNXBGNKSQHIT-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.32
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 5102257) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID5102257
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CCC(=O)N3)ccc12
InChIInChI=1S/C15H14N2O4/c1-8-6-14(19)21-12-7-9(2-3-10(8)12)16-15(20)11-4-5-13(18)17-11/h2-3,6-7,11H,4-5H2,1H3,(H,16,20)(H,17,18)
InChIKeyGMVNXBGNKSQHIT-UHFFFAOYSA-N
XLogP1.32
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide
CID 26053155
N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093540
N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
CID 134131876
(1R,2S,5R)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 87414752
N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744616
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
(2R)-1-(2-aminoacetyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
CID 56845687
1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 46569122
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide (CID 5102257) is N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(=O)oc2cc(NC(=O)C3CCC(=O)N3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GMVNXBGNKSQHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-6-14(19)21-12-7-9(2-3-10(8)12)16-15(20)11-4-5-13(18)17-11/h2-3,6-7,11H,4-5H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5102257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).