[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone

C12H16N2O — CID 70790157

IUPAC[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCNc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O/c1-13-11-6-4-5-10(9-11)12(15)14-7-2-3-8-14/h4-6,9,13H,2-3,7-8H2,1H3
InChIKeyAULNFUGURCMDRI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.96
Rot. Bonds2

About [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone

[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 70790157) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID70790157
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCNc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C12H16N2O/c1-13-11-6-4-5-10(9-11)12(15)14-7-2-3-8-14/h4-6,9,13H,2-3,7-8H2,1H3
InChIKeyAULNFUGURCMDRI-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
tert-butyl 4-[3-(methylamino)benzoyl]piperazine-1-carboxylate
CID 166845071
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
3-(azecane-1-carbonyl)benzamide
CID 66696565
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 70790157) is [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone is CNc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AULNFUGURCMDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-11-6-4-5-10(9-11)12(15)14-7-2-3-8-14/h4-6,9,13H,2-3,7-8H2,1H3.
What are the key properties of [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone?
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70790157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).