7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one

C17H24ClNO — CID 155511120

IUPAC7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C17H24ClNO/c18-16-11-6-5-10-15(16)9-3-1-2-4-12-17(20)19-13-7-8-14-19/h5-6,10-11H,1-4,7-9,12-14H2
InChIKeyGRVRCVHXSJWDKP-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.46
Rot. Bonds7

About 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one

7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155511120) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155511120
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C17H24ClNO/c18-16-11-6-5-10-15(16)9-3-1-2-4-12-17(20)19-13-7-8-14-19/h5-6,10-11H,1-4,7-9,12-14H2
InChIKeyGRVRCVHXSJWDKP-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-(2-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

4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
CID 171353148
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
CID 110409909
4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
CID 110423196
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one (CID 155511120) is 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1ccccc1Cl)N1CCCC1.
What is the InChIKey of 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is GRVRCVHXSJWDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-16-11-6-5-10-15(16)9-3-1-2-4-12-17(20)19-13-7-8-14-19/h5-6,10-11H,1-4,7-9,12-14H2.
What are the key properties of 7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
7-(2-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-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155511120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).