N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

C18H23N3O2 — CID 119342635

IUPACN-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2c2ccccc2)C1)C1CCCN1
InChIInChI=1S/C18H23N3O2/c22-17-9-13(20-18(23)15-7-4-8-19-15)11-21(17)16-10-14(16)12-5-2-1-3-6-12/h1-3,5-6,13-16,19H,4,7-11H2,(H,20,23)
InChIKeyIHPOAKAMAOLNFP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.01
Rot. Bonds4

About N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 119342635) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID119342635
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2c2ccccc2)C1)C1CCCN1
InChIInChI=1S/C18H23N3O2/c22-17-9-13(20-18(23)15-7-4-8-19-15)11-21(17)16-10-14(16)12-5-2-1-3-6-12/h1-3,5-6,13-16,19H,4,7-11H2,(H,20,23)
InChIKeyIHPOAKAMAOLNFP-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
(2R)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 125152480
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124865903
(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
(2R)-N-(2-phenylcyclopropyl)piperidine-2-carboxamide
CID 113266214
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 133108556
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166216719
(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 10083650

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 119342635) is N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide is O=C(NC1CC(=O)N(C2CC2c2ccccc2)C1)C1CCCN1.
What is the InChIKey of N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is IHPOAKAMAOLNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-9-13(20-18(23)15-7-4-8-19-15)11-21(17)16-10-14(16)12-5-2-1-3-6-12/h1-3,5-6,13-16,19H,4,7-11H2,(H,20,23).
What are the key properties of N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide?
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119342635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).