(3-methylidenecyclohexyl)methyl carbamate

C9H15NO2 — CID 91158706

IUPAC(3-methylidenecyclohexyl)methyl carbamate
SMILESC=C1CCCC(COC(N)=O)C1
InChIInChI=1S/C9H15NO2/c1-7-3-2-4-8(5-7)6-12-9(10)11/h8H,1-6H2,(H2,10,11)
InChIKeyFRJISFYKRWVZHW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.83
Rot. Bonds2

About (3-methylidenecyclohexyl)methyl carbamate

(3-methylidenecyclohexyl)methyl carbamate (PubChem CID 91158706) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)methyl carbamate.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)methyl carbamate
PubChem CID91158706
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3-methylidenecyclohexyl)methyl carbamate
SMILESC=C1CCCC(COC(N)=O)C1
InChIInChI=1S/C9H15NO2/c1-7-3-2-4-8(5-7)6-12-9(10)11/h8H,1-6H2,(H2,10,11)
InChIKeyFRJISFYKRWVZHW-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methylidenecyclohexyl)methyl carbamate?
The IUPAC name of (3-methylidenecyclohexyl)methyl carbamate (CID 91158706) is (3-methylidenecyclohexyl)methyl carbamate.
What is the SMILES notation for (3-methylidenecyclohexyl)methyl carbamate?
The canonical SMILES for (3-methylidenecyclohexyl)methyl carbamate is C=C1CCCC(COC(N)=O)C1.
What is the InChIKey of (3-methylidenecyclohexyl)methyl carbamate?
The InChIKey is FRJISFYKRWVZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-3-2-4-8(5-7)6-12-9(10)11/h8H,1-6H2,(H2,10,11).
What are the key properties of (3-methylidenecyclohexyl)methyl carbamate?
(3-methylidenecyclohexyl)methyl carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)methyl carbamate is sourced from PubChem (CID 91158706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).