1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide

C19H16N2O5 — CID 55979205

IUPAC1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C19H16N2O5/c22-17-8-5-12-11-13(6-7-15(12)26-17)20-18(23)14-3-1-9-21(14)19(24)16-4-2-10-25-16/h2,4-8,10-11,14H,1,3,9H2,(H,20,23)
InChIKeySUURNXSHHSKFMJ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.63
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide

1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide (PubChem CID 55979205) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
PubChem CID55979205
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C19H16N2O5/c22-17-8-5-12-11-13(6-7-15(12)26-17)20-18(23)14-3-1-9-21(14)19(24)16-4-2-10-25-16/h2,4-8,10-11,14H,1,3,9H2,(H,20,23)
InChIKeySUURNXSHHSKFMJ-UHFFFAOYSA-N
XLogP2.63
TPSA92.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
tert-butyl 2-[(2-oxochromen-6-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 60559831
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312
(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939473
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide (CID 55979205) is 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2oc(=O)ccc2c1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is SUURNXSHHSKFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-17-8-5-12-11-13(6-7-15(12)26-17)20-18(23)14-3-1-9-21(14)19(24)16-4-2-10-25-16/h2,4-8,10-11,14H,1,3,9H2,(H,20,23).
What are the key properties of 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide?
1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55979205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).