N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

C18H17N3O3 — CID 48791498

IUPACN-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H17N3O3/c22-17-8-5-12-11-13(6-7-16(12)24-17)20-18(23)21-10-2-4-15(21)14-3-1-9-19-14/h1,3,5-9,11,15,19H,2,4,10H2,(H,20,23)
InChIKeyGMZUCPDLGWROGG-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.49
Rot. Bonds2

About N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 48791498) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID48791498
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H17N3O3/c22-17-8-5-12-11-13(6-7-16(12)24-17)20-18(23)21-10-2-4-15(21)14-3-1-9-19-14/h1,3,5-9,11,15,19H,2,4,10H2,(H,20,23)
InChIKeyGMZUCPDLGWROGG-UHFFFAOYSA-N
XLogP3.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-N-(2-oxochromen-6-yl)pyrrolidine-1-carboxamide
CID 111102198
(4R)-N-(2-oxochromen-6-yl)-4-propan-2-ylazepane-1-carboxamide
CID 99808304
tert-butyl 2-[(2-oxochromen-6-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 60559831
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95604428
2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 48791386
(2R)-N-[(1-cyclopropylcyclobutyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 99634075
(2-oxochromen-6-yl)carbamic acid
CID 18427920
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(2-oxochromen-6-yl)urea
CID 95242282
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-oxochromen-6-yl)urea
CID 95163140
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (CID 48791498) is N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is GMZUCPDLGWROGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17-8-5-12-11-13(6-7-16(12)24-17)20-18(23)21-10-2-4-15(21)14-3-1-9-19-14/h1,3,5-9,11,15,19H,2,4,10H2,(H,20,23).
What are the key properties of N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 48791498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).