[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone

C15H18BrNO — CID 69196257

IUPAC[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)C1(Cc2ccc(Br)cc2)CCCN1
InChIInChI=1S/C15H18BrNO/c16-13-6-2-11(3-7-13)10-15(8-1-9-17-15)14(18)12-4-5-12/h2-3,6-7,12,17H,1,4-5,8-10H2
InChIKeyMMEGMJSQKKLTOR-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.09
Rot. Bonds4

About [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone

[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone (PubChem CID 69196257) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone
PubChem CID69196257
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)C1(Cc2ccc(Br)cc2)CCCN1
InChIInChI=1S/C15H18BrNO/c16-13-6-2-11(3-7-13)10-15(8-1-9-17-15)14(18)12-4-5-12/h2-3,6-7,12,17H,1,4-5,8-10H2
InChIKeyMMEGMJSQKKLTOR-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 20786311
cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
(4-bromophenyl)methyl 2-ethylpyrrolidine-2-carboxylate
CID 83071204
cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane
CID 170595415
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2S)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 46741252
(2S)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761877
2-[(3-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 115103734
2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398141
2-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 83079953
(2S)-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 7145473

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone?
The IUPAC name of [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone (CID 69196257) is [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone?
The canonical SMILES for [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone is O=C(C1CC1)C1(Cc2ccc(Br)cc2)CCCN1.
What is the InChIKey of [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone?
The InChIKey is MMEGMJSQKKLTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-13-6-2-11(3-7-13)10-15(8-1-9-17-15)14(18)12-4-5-12/h2-3,6-7,12,17H,1,4-5,8-10H2.
What are the key properties of [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone?
[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone has a molecular weight of 308.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 69196257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).