4,6,6-trimethylcyclooctene-1-carboxamide

C12H21NO — CID 163578465

IUPAC4,6,6-trimethylcyclooctene-1-carboxamide
SMILESCC1CC=C(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C12H21NO/c1-9-4-5-10(11(13)14)6-7-12(2,3)8-9/h5,9H,4,6-8H2,1-3H3,(H2,13,14)
InChIKeyGFOAKCZBKGFTGR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.63
Rot. Bonds1

About 4,6,6-trimethylcyclooctene-1-carboxamide

4,6,6-trimethylcyclooctene-1-carboxamide (PubChem CID 163578465) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,6,6-trimethylcyclooctene-1-carboxamide.

Molecular Properties

Compound Name4,6,6-trimethylcyclooctene-1-carboxamide
PubChem CID163578465
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4,6,6-trimethylcyclooctene-1-carboxamide
SMILESCC1CC=C(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C12H21NO/c1-9-4-5-10(11(13)14)6-7-12(2,3)8-9/h5,9H,4,6-8H2,1-3H3,(H2,13,14)
InChIKeyGFOAKCZBKGFTGR-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
4-methylcyclohepta-1,6-diene-1-carboxamide
CID 144921017
2-amino-5-(3,3,5-trimethylcyclohexyl)oxybenzamide
CID 61307766
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide
CID 63356624
cycloheptene-1-carboxamide
CID 22261654
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265
2-fluoro-2-(2,4,4-trimethylcyclohexylidene)acetic acid
CID 81321400
4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane
CID 145174605
1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone
CID 135353184
5-ethyl-2,5-dimethylcycloheptan-1-one;3,5,5-trimethylcycloheptan-1-one
CID 67856908

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylcyclooctene-1-carboxamide?
The IUPAC name of 4,6,6-trimethylcyclooctene-1-carboxamide (CID 163578465) is 4,6,6-trimethylcyclooctene-1-carboxamide.
What is the SMILES notation for 4,6,6-trimethylcyclooctene-1-carboxamide?
The canonical SMILES for 4,6,6-trimethylcyclooctene-1-carboxamide is CC1CC=C(C(N)=O)CCC(C)(C)C1.
What is the InChIKey of 4,6,6-trimethylcyclooctene-1-carboxamide?
The InChIKey is GFOAKCZBKGFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-4-5-10(11(13)14)6-7-12(2,3)8-9/h5,9H,4,6-8H2,1-3H3,(H2,13,14).
What are the key properties of 4,6,6-trimethylcyclooctene-1-carboxamide?
4,6,6-trimethylcyclooctene-1-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylcyclooctene-1-carboxamide is sourced from PubChem (CID 163578465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).