1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone

C14H25NO — CID 357791

IUPAC1-[1-(2-methylideneheptyl)pyrrolidin-2-yl]ethanone
SMILESCCCCCC(=C)CN1CCCC1C(=O)C
InChIInChI=1S/C14H25NO/c1-4-5-6-8-12(2)11-15-10-7-9-14(15)13(3)16/h14H,2,4-11H2,1,3H3
InChIKeyXFZPNEAFCLCOJB-UHFFFAOYSA-N
MW223.35 g/mol
LogP3.90
Rot. Bonds7

About 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone

1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone (PubChem CID 357791) has the molecular formula C14H25NO and a molecular weight of 223.35 g/mol. Its IUPAC name is 1-[1-(2-methylideneheptyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone
PubChem CID357791
Molecular FormulaC14H25NO
Molecular Weight223.35 g/mol
Exact Mass223.19
IUPAC Name1-[1-(2-methylideneheptyl)pyrrolidin-2-yl]ethanone
SMILESCCCCCC(=C)CN1CCCC1C(=O)C
InChIInChI=1S/C14H25NO/c1-4-5-6-8-12(2)11-15-10-7-9-14(15)13(3)16/h14H,2,4-11H2,1,3H3
InChIKeyXFZPNEAFCLCOJB-UHFFFAOYSA-N
XLogP3.90
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone (CID 357791) is 1-[1-(2-methylideneheptyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone is CCCCCC(=C)CN1CCCC1C(=O)C.
What is the InChIKey of 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone?
The InChIKey is XFZPNEAFCLCOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-8-12(2)11-15-10-7-9-14(15)13(3)16/h14H,2,4-11H2,1,3H3.
What are the key properties of 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone?
1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone has a molecular weight of 223.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 357791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).