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

C13H24ClNO — CID 5387762

IUPAC(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1/CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C13H23NO.ClH/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3;/h7,12H,4-6,8-10H2,1-3H3;1H/b11-7-;
InChIKeyVXXNBWRDPYVVQC-AJULUCINSA-N
MW245.79 g/mol
LogP3.07
Rot. Bonds5

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

(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride (PubChem CID 5387762) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride
PubChem CID5387762
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1/CCC(CN(C)C)C1=O.Cl
InChIInChI=1S/C13H23NO.ClH/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3;/h7,12H,4-6,8-10H2,1-3H3;1H/b11-7-;
InChIKeyVXXNBWRDPYVVQC-AJULUCINSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.07
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 (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride?
The IUPAC name of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride (CID 5387762) is (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride.
What is the SMILES notation for (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride?
The canonical SMILES for (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride is CCCC/C=C1/CCC(CN(C)C)C1=O.Cl.
What is the InChIKey of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride?
The InChIKey is VXXNBWRDPYVVQC-AJULUCINSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-4-5-6-7-11-8-9-12(13(11)15)10-14(2)3;/h7,12H,4-6,8-10H2,1-3H3;1H/b11-7-;.
What are the key properties of (5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride?
(5Z)-2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 3.07, 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;hydrochloride is sourced from PubChem (CID 5387762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).