2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one

C18H25N3O2 — CID 58697854

IUPAC2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
SMILESCc1[nH]c2c(c1C(=O)N1CCC[C@H]1CN1CCCC1)CCC2=O
InChIInChI=1S/C18H25N3O2/c1-12-16(14-6-7-15(22)17(14)19-12)18(23)21-10-4-5-13(21)11-20-8-2-3-9-20/h13,19H,2-11H2,1H3/t13-/m0/s1
InChIKeyUTODRTLVAVATJX-ZDUSSCGKSA-N
MW315.42 g/mol
LogP2.15
Rot. Bonds3

About 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one

2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one (PubChem CID 58697854) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one.

Molecular Properties

Compound Name2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
PubChem CID58697854
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
SMILESCc1[nH]c2c(c1C(=O)N1CCC[C@H]1CN1CCCC1)CCC2=O
InChIInChI=1S/C18H25N3O2/c1-12-16(14-6-7-15(22)17(14)19-12)18(23)21-10-4-5-13(21)11-20-8-2-3-9-20/h13,19H,2-11H2,1H3/t13-/m0/s1
InChIKeyUTODRTLVAVATJX-ZDUSSCGKSA-N
XLogP2.15
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 141401424
1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 96573203
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
(3Z)-3-[[3,5-dimethyl-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 10181494
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119860038
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
3-methyl-5-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1H-pyrrole-2,4-dicarboxylic acid
CID 141140715
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
The IUPAC name of 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one (CID 58697854) is 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one.
What is the SMILES notation for 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
The canonical SMILES for 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one is Cc1[nH]c2c(c1C(=O)N1CCC[C@H]1CN1CCCC1)CCC2=O.
What is the InChIKey of 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
The InChIKey is UTODRTLVAVATJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-16(14-6-7-15(22)17(14)19-12)18(23)21-10-4-5-13(21)11-20-8-2-3-9-20/h13,19H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one?
2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one has a molecular weight of 315.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one is sourced from PubChem (CID 58697854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).