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

C17H31NO — CID 5467299

IUPAC(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one
SMILESCCCCCCCC/C=C1\CCC(CN(C)C)C1=O
InChIInChI=1S/C17H31NO/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/b15-11+
InChIKeyADVQIEZVXWRUQP-RVDMUPIBSA-N
MW265.44 g/mol
LogP4.20
Rot. Bonds9

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

(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one (PubChem CID 5467299) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one
PubChem CID5467299
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one
SMILESCCCCCCCC/C=C1\CCC(CN(C)C)C1=O
InChIInChI=1S/C17H31NO/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/b15-11+
InChIKeyADVQIEZVXWRUQP-RVDMUPIBSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.20
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?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one (CID 5467299) is (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one is CCCCCCCC/C=C1\CCC(CN(C)C)C1=O.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one?
The InChIKey is ADVQIEZVXWRUQP-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H31NO/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/b15-11+.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one?
(5E)-2-[(dimethylamino)methyl]-5-nonylidenecyclopentan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.20, 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 is sourced from PubChem (CID 5467299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).