(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one

C12H23NO — CID 89053063

IUPAC(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one
SMILESCN[C@](C)(CCCC=C(C)C)C(C)=O
InChIInChI=1S/C12H23NO/c1-10(2)8-6-7-9-12(4,13-5)11(3)14/h8,13H,6-7,9H2,1-5H3/t12-/m1/s1
InChIKeyKJMIZUHIOFINLN-GFCCVEGCSA-N
MW197.32 g/mol
LogP2.69
Rot. Bonds6

About (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one

(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one (PubChem CID 89053063) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one.

Molecular Properties

Compound Name(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one
PubChem CID89053063
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one
SMILESCN[C@](C)(CCCC=C(C)C)C(C)=O
InChIInChI=1S/C12H23NO/c1-10(2)8-6-7-9-12(4,13-5)11(3)14/h8,13H,6-7,9H2,1-5H3/t12-/m1/s1
InChIKeyKJMIZUHIOFINLN-GFCCVEGCSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-3-(methylamino)hept-6-en-2-one
CID 118335529
S-tert-butyl 6-methylhept-5-enethioate
CID 86189138
2,7-dimethyloct-6-ene-1,2-diol
CID 10654785
2,7-dimethyl-2-prop-1-en-2-yloct-6-enoic acid
CID 175178863
3-methyl-3-[[4-methyl-4-[[3-methyl-3-(methylamino)-2-oxooct-7-enyl]amino]-3-oxonon-8-enyl]amino]undec-10-en-2-one
CID 139335666
(3S)-5-cyclohexyl-3-methyl-3-(methylamino)pentan-2-one
CID 155643546
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
methyl 13-methyltetradec-12-enoate
CID 24973726
20-methylhenicos-19-enamide
CID 87478015
3-acetyl-3,7-dimethyl-2-sulfanyloct-6-enal
CID 150404068
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
N,N-diethyl-8-methylnon-7-enamide
CID 11458780

Frequently Asked Questions

What is the IUPAC name of (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one?
The IUPAC name of (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one (CID 89053063) is (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one.
What is the SMILES notation for (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one?
The canonical SMILES for (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one is CN[C@](C)(CCCC=C(C)C)C(C)=O.
What is the InChIKey of (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one?
The InChIKey is KJMIZUHIOFINLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-6-7-9-12(4,13-5)11(3)14/h8,13H,6-7,9H2,1-5H3/t12-/m1/s1.
What are the key properties of (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one?
(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one is sourced from PubChem (CID 89053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).