[4-(cyanomethyl)cyclohexyl]-methylcarbamic acid

C10H16N2O2 — CID 22567814

IUPAC[4-(cyanomethyl)cyclohexyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(CC#N)CC1
InChIInChI=1S/C10H16N2O2/c1-12(10(13)14)9-4-2-8(3-5-9)6-7-11/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeyAUPDOBNLGVNWRH-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.07
Rot. Bonds2

About [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid

[4-(cyanomethyl)cyclohexyl]-methylcarbamic acid (PubChem CID 22567814) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(cyanomethyl)cyclohexyl]-methylcarbamic acid
PubChem CID22567814
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[4-(cyanomethyl)cyclohexyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(CC#N)CC1
InChIInChI=1S/C10H16N2O2/c1-12(10(13)14)9-4-2-8(3-5-9)6-7-11/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeyAUPDOBNLGVNWRH-UHFFFAOYSA-N
XLogP2.07
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(cyanomethyl)cyclohexyl]-methylcarbamic acid?
The IUPAC name of [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid (CID 22567814) is [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid.
What is the SMILES notation for [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid?
The canonical SMILES for [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid is CN(C(=O)O)C1CCC(CC#N)CC1.
What is the InChIKey of [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid?
The InChIKey is AUPDOBNLGVNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(10(13)14)9-4-2-8(3-5-9)6-7-11/h8-9H,2-6H2,1H3,(H,13,14).
What are the key properties of [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid?
[4-(cyanomethyl)cyclohexyl]-methylcarbamic acid has a molecular weight of 196.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyanomethyl)cyclohexyl]-methylcarbamic acid is sourced from PubChem (CID 22567814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).