2-cyano-2-(1-methylcyclohexyl)acetic acid

C10H15NO2 — CID 12673904

IUPAC2-cyano-2-(1-methylcyclohexyl)acetic acid
SMILESCC1(C(C#N)C(=O)O)CCCCC1
InChIInChI=1S/C10H15NO2/c1-10(5-3-2-4-6-10)8(7-11)9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeyMAJFAUMDJVSGSV-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.18
Rot. Bonds2

About 2-cyano-2-(1-methylcyclohexyl)acetic acid

2-cyano-2-(1-methylcyclohexyl)acetic acid (PubChem CID 12673904) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-cyano-2-(1-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-cyano-2-(1-methylcyclohexyl)acetic acid
PubChem CID12673904
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-cyano-2-(1-methylcyclohexyl)acetic acid
SMILESCC1(C(C#N)C(=O)O)CCCCC1
InChIInChI=1S/C10H15NO2/c1-10(5-3-2-4-6-10)8(7-11)9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKeyMAJFAUMDJVSGSV-UHFFFAOYSA-N
XLogP2.18
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(1-methylcyclohexyl)acetic acid?
The IUPAC name of 2-cyano-2-(1-methylcyclohexyl)acetic acid (CID 12673904) is 2-cyano-2-(1-methylcyclohexyl)acetic acid.
What is the SMILES notation for 2-cyano-2-(1-methylcyclohexyl)acetic acid?
The canonical SMILES for 2-cyano-2-(1-methylcyclohexyl)acetic acid is CC1(C(C#N)C(=O)O)CCCCC1.
What is the InChIKey of 2-cyano-2-(1-methylcyclohexyl)acetic acid?
The InChIKey is MAJFAUMDJVSGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(5-3-2-4-6-10)8(7-11)9(12)13/h8H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-cyano-2-(1-methylcyclohexyl)acetic acid?
2-cyano-2-(1-methylcyclohexyl)acetic acid has a molecular weight of 181.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(1-methylcyclohexyl)acetic acid is sourced from PubChem (CID 12673904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).