7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one

C17H24ClNO — CID 155518141

IUPAC7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C17H24ClNO/c18-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)19-13-5-6-14-19/h9-12H,1-8,13-14H2
InChIKeyJITJGBKTFWIPMO-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.46
Rot. Bonds7

About 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one

7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155518141) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155518141
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C17H24ClNO/c18-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)19-13-5-6-14-19/h9-12H,1-8,13-14H2
InChIKeyJITJGBKTFWIPMO-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one 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

f215
CID 132141153
2-Chloro-2-phenyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 4962513
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
4-(4-Chlorophenyl)-2-pyrrolidinone
CID 185490
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
2-(2-Chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 974099
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
[1-(4-Chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 11638939
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 11667635

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one (CID 155518141) is 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is JITJGBKTFWIPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)19-13-5-6-14-19/h9-12H,1-8,13-14H2.
What are the key properties of 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one has a molecular weight of 293.84 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155518141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).