(2-methyl-4-methylidenecyclohexyl) carbamate

C9H15NO2 — CID 91537406

IUPAC(2-methyl-4-methylidenecyclohexyl) carbamate
SMILESC=C1CCC(OC(N)=O)C(C)C1
InChIInChI=1S/C9H15NO2/c1-6-3-4-8(7(2)5-6)12-9(10)11/h7-8H,1,3-5H2,2H3,(H2,10,11)
InChIKeyOFFYZZRMFHCKPP-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.83
Rot. Bonds1

About (2-methyl-4-methylidenecyclohexyl) carbamate

(2-methyl-4-methylidenecyclohexyl) carbamate (PubChem CID 91537406) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2-methyl-4-methylidenecyclohexyl) carbamate.

Molecular Properties

Compound Name(2-methyl-4-methylidenecyclohexyl) carbamate
PubChem CID91537406
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2-methyl-4-methylidenecyclohexyl) carbamate
SMILESC=C1CCC(OC(N)=O)C(C)C1
InChIInChI=1S/C9H15NO2/c1-6-3-4-8(7(2)5-6)12-9(10)11/h7-8H,1,3-5H2,2H3,(H2,10,11)
InChIKeyOFFYZZRMFHCKPP-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (2-methyl-4-methylidenecyclohexyl) carbamate?
The IUPAC name of (2-methyl-4-methylidenecyclohexyl) carbamate (CID 91537406) is (2-methyl-4-methylidenecyclohexyl) carbamate.
What is the SMILES notation for (2-methyl-4-methylidenecyclohexyl) carbamate?
The canonical SMILES for (2-methyl-4-methylidenecyclohexyl) carbamate is C=C1CCC(OC(N)=O)C(C)C1.
What is the InChIKey of (2-methyl-4-methylidenecyclohexyl) carbamate?
The InChIKey is OFFYZZRMFHCKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-3-4-8(7(2)5-6)12-9(10)11/h7-8H,1,3-5H2,2H3,(H2,10,11).
What are the key properties of (2-methyl-4-methylidenecyclohexyl) carbamate?
(2-methyl-4-methylidenecyclohexyl) carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-methylidenecyclohexyl) carbamate is sourced from PubChem (CID 91537406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).