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

C18H34ClNO — CID 5467300

IUPAC(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
SMILESCCCCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C18H33NO.ClH/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(18(16)20)15-19(2)3;/h12,17H,4-11,13-15H2,1-3H3;1H/b16-12+;
InChIKeyKSNUXNPKZVEQON-CLNHMMGSSA-N
MW315.93 g/mol
LogP5.02
Rot. Bonds10

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

(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride (PubChem CID 5467300) has the molecular formula C18H34ClNO and a molecular weight of 315.93 g/mol. Its IUPAC name is (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
PubChem CID5467300
Molecular FormulaC18H34ClNO
Molecular Weight315.93 g/mol
Exact Mass315.23
IUPAC Name(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
SMILESCCCCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C18H33NO.ClH/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(18(16)20)15-19(2)3;/h12,17H,4-11,13-15H2,1-3H3;1H/b16-12+;
InChIKeyKSNUXNPKZVEQON-CLNHMMGSSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.93
LogP ≤ 55.02
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 (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-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 (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride?
The IUPAC name of (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride (CID 5467300) is (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride.
What is the SMILES notation for (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride?
The canonical SMILES for (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride is CCCCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl.
What is the InChIKey of (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride?
The InChIKey is KSNUXNPKZVEQON-CLNHMMGSSA-N. The full InChI is InChI=1S/C18H33NO.ClH/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(18(16)20)15-19(2)3;/h12,17H,4-11,13-15H2,1-3H3;1H/b16-12+;.
What are the key properties of (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride?
(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride has a molecular weight of 315.93 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride is sourced from PubChem (CID 5467300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).