(4-cyano-4-methylcyclohexyl)-methylcarbamic acid

C10H16N2O2 — CID 67503005

IUPAC(4-cyano-4-methylcyclohexyl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(C)(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-10(7-11)5-3-8(4-6-10)12(2)9(13)14/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyXWRZIOASMUWUKH-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.07
Rot. Bonds1

About (4-cyano-4-methylcyclohexyl)-methylcarbamic acid

(4-cyano-4-methylcyclohexyl)-methylcarbamic acid (PubChem CID 67503005) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-cyano-4-methylcyclohexyl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-cyano-4-methylcyclohexyl)-methylcarbamic acid
PubChem CID67503005
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(4-cyano-4-methylcyclohexyl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(C)(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-10(7-11)5-3-8(4-6-10)12(2)9(13)14/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyXWRZIOASMUWUKH-UHFFFAOYSA-N
XLogP2.07
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-4-methylcyclohexyl)-methylcarbamic acid?
The IUPAC name of (4-cyano-4-methylcyclohexyl)-methylcarbamic acid (CID 67503005) is (4-cyano-4-methylcyclohexyl)-methylcarbamic acid.
What is the SMILES notation for (4-cyano-4-methylcyclohexyl)-methylcarbamic acid?
The canonical SMILES for (4-cyano-4-methylcyclohexyl)-methylcarbamic acid is CN(C(=O)O)C1CCC(C)(C#N)CC1.
What is the InChIKey of (4-cyano-4-methylcyclohexyl)-methylcarbamic acid?
The InChIKey is XWRZIOASMUWUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(7-11)5-3-8(4-6-10)12(2)9(13)14/h8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of (4-cyano-4-methylcyclohexyl)-methylcarbamic acid?
(4-cyano-4-methylcyclohexyl)-methylcarbamic acid has a molecular weight of 196.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-4-methylcyclohexyl)-methylcarbamic acid is sourced from PubChem (CID 67503005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).