N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide

C15H16N2O3 — CID 63298023

IUPACN-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2oc1=O)C1CCNC1
InChIInChI=1S/C15H16N2O3/c1-17(11-6-7-16-9-11)14(18)12-8-10-4-2-3-5-13(10)20-15(12)19/h2-5,8,11,16H,6-7,9H2,1H3
InChIKeyWWXLAUUMUZBMAZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.23
Rot. Bonds2

About N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide

N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide (PubChem CID 63298023) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
PubChem CID63298023
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2oc1=O)C1CCNC1
InChIInChI=1S/C15H16N2O3/c1-17(11-6-7-16-9-11)14(18)12-8-10-4-2-3-5-13(10)20-15(12)19/h2-5,8,11,16H,6-7,9H2,1H3
InChIKeyWWXLAUUMUZBMAZ-UHFFFAOYSA-N
XLogP1.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
CID 2347966
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide (CID 63298023) is N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide is CN(C(=O)c1cc2ccccc2oc1=O)C1CCNC1.
What is the InChIKey of N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide?
The InChIKey is WWXLAUUMUZBMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(11-6-7-16-9-11)14(18)12-8-10-4-2-3-5-13(10)20-15(12)19/h2-5,8,11,16H,6-7,9H2,1H3.
What are the key properties of N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide?
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide is sourced from PubChem (CID 63298023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).