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

C17H20N2O3 — CID 119531116

IUPAC2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2oc1=O)C1CCNC1
InChIInChI=1S/C17H20N2O3/c1-2-9-19(13-7-8-18-11-13)16(20)14-10-12-5-3-4-6-15(12)22-17(14)21/h3-6,10,13,18H,2,7-9,11H2,1H3
InChIKeyWYRZGUWFYQRGCT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds4

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

2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide (PubChem CID 119531116) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
PubChem CID119531116
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2oc1=O)C1CCNC1
InChIInChI=1S/C17H20N2O3/c1-2-9-19(13-7-8-18-11-13)16(20)14-10-12-5-3-4-6-15(12)22-17(14)21/h3-6,10,13,18H,2,7-9,11H2,1H3
InChIKeyWYRZGUWFYQRGCT-UHFFFAOYSA-N
XLogP2.01
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
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-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
CID 119531545
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide?
The IUPAC name of 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide (CID 119531116) is 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide is CCCN(C(=O)c1cc2ccccc2oc1=O)C1CCNC1.
What is the InChIKey of 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide?
The InChIKey is WYRZGUWFYQRGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-9-19(13-7-8-18-11-13)16(20)14-10-12-5-3-4-6-15(12)22-17(14)21/h3-6,10,13,18H,2,7-9,11H2,1H3.
What are the key properties of 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide?
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide is sourced from PubChem (CID 119531116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).