1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide

C11H17NO — CID 130030129

IUPAC1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
SMILESCC1CCC(C)(C(=O)C#N)C1(C)C
InChIInChI=1S/C11H17NO/c1-8-5-6-11(4,9(13)7-12)10(8,2)3/h8H,5-6H2,1-4H3
InChIKeyXQQHMIWLKGQNAN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.54
Rot. Bonds1

About 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide

1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide (PubChem CID 130030129) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide.

Molecular Properties

Compound Name1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
PubChem CID130030129
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide
SMILESCC1CCC(C)(C(=O)C#N)C1(C)C
InChIInChI=1S/C11H17NO/c1-8-5-6-11(4,9(13)7-12)10(8,2)3/h8H,5-6H2,1-4H3
InChIKeyXQQHMIWLKGQNAN-UHFFFAOYSA-N
XLogP2.54
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
methyl-bis(1,2,2,3-tetramethylcyclopentanecarbonyl)azanium chloride
CID 2750729
2-amino-1-(1,2,2,3-tetramethylcyclopentyl)ethanone
CID 2750733
3-hydroxy-1,3-bis(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-one
CID 2724557
[2-oxo-2-(1,2,2,3-tetramethylcyclopentyl)ethyl] acetate
CID 2750743
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
[2-oxo-2-[(1S,3R)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
CID 7054286
[2-oxo-2-[(1S,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl] propanoate
CID 7054284
2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
CID 7054018
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
cis-(1S,3S)-3-cyano-1,2,2-trimethylcyclopentane-1-carboxamide
CID 7054095

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide?
The IUPAC name of 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide (CID 130030129) is 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide.
What is the SMILES notation for 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide?
The canonical SMILES for 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide is CC1CCC(C)(C(=O)C#N)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide?
The InChIKey is XQQHMIWLKGQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-11(4,9(13)7-12)10(8,2)3/h8H,5-6H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide?
1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide has a molecular weight of 179.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylcyclopentane-1-carbonyl cyanide is sourced from PubChem (CID 130030129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).