(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one

C13H23NO — CID 5387763

IUPAC(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one
SMILESCCCC/C=C1/CCC(CN(C)C)C1=O
InChIInChI=1S/C13H23NO/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyDGFOGZAJBWCFAR-XFFZJAGNSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds5

About (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one

(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one (PubChem CID 5387763) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one.

Molecular Properties

Compound Name(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one
PubChem CID5387763
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one
SMILESCCCC/C=C1/CCC(CN(C)C)C1=O
InChIInChI=1S/C13H23NO/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyDGFOGZAJBWCFAR-XFFZJAGNSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one?
The IUPAC name of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one (CID 5387763) is (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one.
What is the SMILES notation for (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one?
The canonical SMILES for (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one is CCCC/C=C1/CCC(CN(C)C)C1=O.
What is the InChIKey of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one?
The InChIKey is DGFOGZAJBWCFAR-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3/h7,12H,4-6,8-10H2,1-3H3/b11-7-.
What are the key properties of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one?
(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one is sourced from PubChem (CID 5387763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).