(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

C12H20N2O2 — CID 95280942

IUPAC(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-3-13(4-2)12(16)9-7-11(15)14(8-9)10-5-6-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVRSUAHMKMGDUTB-SECBINFHSA-N
MW224.30 g/mol
LogP0.87
Rot. Bonds4

About (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95280942) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95280942
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-3-13(4-2)12(16)9-7-11(15)14(8-9)10-5-6-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVRSUAHMKMGDUTB-SECBINFHSA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N,1-dicyclopropyl-N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 97096733
4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 110346149
(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 95294699
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103915447
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364757
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51077779
(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (CID 95280942) is (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VRSUAHMKMGDUTB-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-13(4-2)12(16)9-7-11(15)14(8-9)10-5-6-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95280942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).