1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C20H26N2O3 — CID 56811909

IUPAC1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)C2CC(=O)N(CC3CC3)C2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-17-8-6-15(7-9-17)18-3-2-10-22(18)20(24)16-11-19(23)21(13-16)12-14-4-5-14/h6-9,14,16,18H,2-5,10-13H2,1H3
InChIKeyMPFBPVUYZPXHES-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.62
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 56811909) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID56811909
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)C2CC(=O)N(CC3CC3)C2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-17-8-6-15(7-9-17)18-3-2-10-22(18)20(24)16-11-19(23)21(13-16)12-14-4-5-14/h6-9,14,16,18H,2-5,10-13H2,1H3
InChIKeyMPFBPVUYZPXHES-UHFFFAOYSA-N
XLogP2.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336852
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 42907667
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95779318

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 56811909) is 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(C2CCCN2C(=O)C2CC(=O)N(CC3CC3)C2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MPFBPVUYZPXHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-17-8-6-15(7-9-17)18-3-2-10-22(18)20(24)16-11-19(23)21(13-16)12-14-4-5-14/h6-9,14,16,18H,2-5,10-13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 56811909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).