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

C18H33NO — CID 5467301

IUPAC(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one
SMILESCCCCCCCCC/C=C1\CCC(CN(C)C)C1=O
InChIInChI=1S/C18H33NO/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/b16-12+
InChIKeyPIKBMJHEEKMGLM-FOWTUZBSSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds10

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

(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one (PubChem CID 5467301) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one
PubChem CID5467301
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one
SMILESCCCCCCCCC/C=C1\CCC(CN(C)C)C1=O
InChIInChI=1S/C18H33NO/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/b16-12+
InChIKeyPIKBMJHEEKMGLM-FOWTUZBSSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.59
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 (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one?
The IUPAC name of (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one (CID 5467301) is (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one.
What is the SMILES notation for (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one?
The canonical SMILES for (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one is CCCCCCCCC/C=C1\CCC(CN(C)C)C1=O.
What is the InChIKey of (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one?
The InChIKey is PIKBMJHEEKMGLM-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H33NO/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/b16-12+.
What are the key properties of (2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one?
(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.59, 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 is sourced from PubChem (CID 5467301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).