[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone

C16H21ClN2O — CID 120806411

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-16(9-18)5-6-19(10-16)15(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,13-14H,5-6,8-10,18H2,1H3
InChIKeyNXFYGPFQMBINRI-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.64
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 120806411) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID120806411
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1
InChIInChI=1S/C16H21ClN2O/c1-16(9-18)5-6-19(10-16)15(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,13-14H,5-6,8-10,18H2,1H3
InChIKeyNXFYGPFQMBINRI-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone (CID 120806411) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone is CC1(CN)CCN(C(=O)C2CC2c2cccc(Cl)c2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is NXFYGPFQMBINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-16(9-18)5-6-19(10-16)15(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,13-14H,5-6,8-10,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 292.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 120806411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).