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

C17H32ClNO — CID 5467298

IUPAC(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride
SMILESCCCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C17H31NO.ClH/c1-4-5-6-7-8-9-10-11-15-12-13-16(17(15)19)14-18(2)3;/h11,16H,4-10,12-14H2,1-3H3;1H/b15-11+;
InChIKeyVZESQSCDFJJJKY-KRWCAOSLSA-N
MW301.90 g/mol
LogP4.63
Rot. Bonds9

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

(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride (PubChem CID 5467298) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride
PubChem CID5467298
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC Name(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride
SMILESCCCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C17H31NO.ClH/c1-4-5-6-7-8-9-10-11-15-12-13-16(17(15)19)14-18(2)3;/h11,16H,4-10,12-14H2,1-3H3;1H/b15-11+;
InChIKeyVZESQSCDFJJJKY-KRWCAOSLSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.90
LogP ≤ 54.63
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride (CID 5467298) is (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride is CCCCCCCC/C=C1\CCC(CN(C)C)C1=O.Cl.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride?
The InChIKey is VZESQSCDFJJJKY-KRWCAOSLSA-N. The full InChI is InChI=1S/C17H31NO.ClH/c1-4-5-6-7-8-9-10-11-15-12-13-16(17(15)19)14-18(2)3;/h11,16H,4-10,12-14H2,1-3H3;1H/b15-11+;.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride?
(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride has a molecular weight of 301.90 g/mol, XLogP of 4.63, 9 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-nonylidenecyclopentan-1-one;hydrochloride is sourced from PubChem (CID 5467298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).