1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone

C12H22N2O — CID 115908114

IUPAC1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCCC2)C1
InChIInChI=1S/C12H22N2O/c1-10(15)14-7-6-12(9-14)13-8-11-4-2-3-5-11/h11-13H,2-9H2,1H3
InChIKeyNARLBPCZKXNXJP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds3

About 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone

1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 115908114) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
PubChem CID115908114
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCCC2)C1
InChIInChI=1S/C12H22N2O/c1-10(15)14-7-6-12(9-14)13-8-11-4-2-3-5-11/h11-13H,2-9H2,1H3
InChIKeyNARLBPCZKXNXJP-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
1-[3-(cyclohex-3-en-1-ylmethylamino)pyrrolidin-1-yl]ethanone
CID 115757149
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
CID 68917918
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone (CID 115908114) is 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(NCC2CCCC2)C1.
What is the InChIKey of 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is NARLBPCZKXNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(15)14-7-6-12(9-14)13-8-11-4-2-3-5-11/h11-13H,2-9H2,1H3.
What are the key properties of 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone?
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115908114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).