(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone

C12H16N2O — CID 75412242

IUPAC(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C12H16N2O/c1-14-6-5-10(8-14)12(15)9-3-2-4-11(13)7-9/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeySMBCTTQLLUDUAT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.40
Rot. Bonds2

About (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone

(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 75412242) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone
PubChem CID75412242
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C12H16N2O/c1-14-6-5-10(8-14)12(15)9-3-2-4-11(13)7-9/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeySMBCTTQLLUDUAT-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
1-(3-aminobenzoyl)-4-methylpiperazine-2-carboxylic acid
CID 142180497
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone (CID 75412242) is (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone is CN1CCC(C(=O)c2cccc(N)c2)C1.
What is the InChIKey of (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is SMBCTTQLLUDUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-6-5-10(8-14)12(15)9-3-2-4-11(13)7-9/h2-4,7,10H,5-6,8,13H2,1H3.
What are the key properties of (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone?
(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 204.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 75412242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).