(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide

C12H21NO2 — CID 161131004

IUPAC(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
SMILESC=CCC[C@H](C)CC(=O)[C@H](C)CC(N)=O
InChIInChI=1S/C12H21NO2/c1-4-5-6-9(2)7-11(14)10(3)8-12(13)15/h4,9-10H,1,5-8H2,2-3H3,(H2,13,15)/t9-,10+/m0/s1
InChIKeyQUYOLKJYMZAZGZ-VHSXEESVSA-N
MW211.30 g/mol
LogP2.06
Rot. Bonds8

About (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide

(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide (PubChem CID 161131004) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide.

Molecular Properties

Compound Name(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
PubChem CID161131004
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
SMILESC=CCC[C@H](C)CC(=O)[C@H](C)CC(N)=O
InChIInChI=1S/C12H21NO2/c1-4-5-6-9(2)7-11(14)10(3)8-12(13)15/h4,9-10H,1,5-8H2,2-3H3,(H2,13,15)/t9-,10+/m0/s1
InChIKeyQUYOLKJYMZAZGZ-VHSXEESVSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allylstearamide
CID 86220574
2-Hexyl-4-pentenamide
CID 87610936
2-Acetyl-3-ethenyl-2-methyloctanamide
CID 146162096
2-Methyl-3-oxodec-8-enamide
CID 172994116
2-Acetyl-3-ethenyloctanamide
CID 176427531
(2S,8E)-2-methyl-3-oxodec-8-enamide
CID 170990680
(1R,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 817667
2-Propyloct-7-enamide
CID 17824877
2-Methylundec-10-enamide
CID 17824935
2-Ethyldec-9-enamide
CID 17824949
2-Methyldec-9-enamide
CID 17824967
2-Ethyldodec-11-enamide
CID 17825005

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide?
The IUPAC name of (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide (CID 161131004) is (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide.
What is the SMILES notation for (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide?
The canonical SMILES for (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide is C=CCC[C@H](C)CC(=O)[C@H](C)CC(N)=O.
What is the InChIKey of (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide?
The InChIKey is QUYOLKJYMZAZGZ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-6-9(2)7-11(14)10(3)8-12(13)15/h4,9-10H,1,5-8H2,2-3H3,(H2,13,15)/t9-,10+/m0/s1.
What are the key properties of (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide?
(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide has a molecular weight of 211.30 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3,6-dimethyl-4-oxodec-9-enamide is sourced from PubChem (CID 161131004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).