(3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one

C15H25NO — CID 155064981

IUPAC(3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one
SMILESC=C=CC(=C)CC(C)CC[C@H](C(C)=O)N(C)C
InChIInChI=1S/C15H25NO/c1-7-8-12(2)11-13(3)9-10-15(14(4)17)16(5)6/h8,13,15H,1-2,9-11H2,3-6H3/t13?,15-/m1/s1
InChIKeyHEOFHRHPRLBMQH-AWKYBWMHSA-N
MW235.37 g/mol
LogP3.21
Rot. Bonds8

About (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one

(3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one (PubChem CID 155064981) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one
PubChem CID155064981
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one
SMILESC=C=CC(=C)CC(C)CC[C@H](C(C)=O)N(C)C
InChIInChI=1S/C15H25NO/c1-7-8-12(2)11-13(3)9-10-15(14(4)17)16(5)6/h8,13,15H,1-2,9-11H2,3-6H3/t13?,15-/m1/s1
InChIKeyHEOFHRHPRLBMQH-AWKYBWMHSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one?
The IUPAC name of (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one (CID 155064981) is (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one.
What is the SMILES notation for (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one?
The canonical SMILES for (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one is C=C=CC(=C)CC(C)CC[C@H](C(C)=O)N(C)C.
What is the InChIKey of (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one?
The InChIKey is HEOFHRHPRLBMQH-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-8-12(2)11-13(3)9-10-15(14(4)17)16(5)6/h8,13,15H,1-2,9-11H2,3-6H3/t13?,15-/m1/s1.
What are the key properties of (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one?
(3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-6-methyl-8-methylideneundeca-9,10-dien-2-one is sourced from PubChem (CID 155064981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).