(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride

C15H28ClNO — CID 5387764

IUPAC(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride
SMILESCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C15H27NO.ClH/c1-4-5-6-7-8-9-13-10-11-14(15(13)17)12-16(2)3;/h9,14H,4-8,10-12H2,1-3H3;1H/b13-9+;
InChIKeyUTDPNCFLWSUGJW-KJEVSKRMSA-N
MW273.85 g/mol
LogP3.85
Rot. Bonds7

About (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride

(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride (PubChem CID 5387764) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride
PubChem CID5387764
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride
SMILESCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C15H27NO.ClH/c1-4-5-6-7-8-9-13-10-11-14(15(13)17)12-16(2)3;/h9,14H,4-8,10-12H2,1-3H3;1H/b13-9+;
InChIKeyUTDPNCFLWSUGJW-KJEVSKRMSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.85
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 (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride 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 (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride (CID 5387764) is (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride is CCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride?
The InChIKey is UTDPNCFLWSUGJW-KJEVSKRMSA-N. The full InChI is InChI=1S/C15H27NO.ClH/c1-4-5-6-7-8-9-13-10-11-14(15(13)17)12-16(2)3;/h9,14H,4-8,10-12H2,1-3H3;1H/b13-9+;.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride?
(5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride has a molecular weight of 273.85 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride is sourced from PubChem (CID 5387764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).