(3-methoxy-4-methylidenecyclohexyl) carbamate

C9H15NO3 — CID 91337664

IUPAC(3-methoxy-4-methylidenecyclohexyl) carbamate
SMILESC=C1CCC(OC(N)=O)CC1OC
InChIInChI=1S/C9H15NO3/c1-6-3-4-7(13-9(10)11)5-8(6)12-2/h7-8H,1,3-5H2,2H3,(H2,10,11)
InChIKeyUTZWNPYPJLXTLF-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.21
Rot. Bonds2

About (3-methoxy-4-methylidenecyclohexyl) carbamate

(3-methoxy-4-methylidenecyclohexyl) carbamate (PubChem CID 91337664) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3-methoxy-4-methylidenecyclohexyl) carbamate.

Molecular Properties

Compound Name(3-methoxy-4-methylidenecyclohexyl) carbamate
PubChem CID91337664
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3-methoxy-4-methylidenecyclohexyl) carbamate
SMILESC=C1CCC(OC(N)=O)CC1OC
InChIInChI=1S/C9H15NO3/c1-6-3-4-7(13-9(10)11)5-8(6)12-2/h7-8H,1,3-5H2,2H3,(H2,10,11)
InChIKeyUTZWNPYPJLXTLF-UHFFFAOYSA-N
XLogP1.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-4-methylidenecyclohexyl) carbamate?
The IUPAC name of (3-methoxy-4-methylidenecyclohexyl) carbamate (CID 91337664) is (3-methoxy-4-methylidenecyclohexyl) carbamate.
What is the SMILES notation for (3-methoxy-4-methylidenecyclohexyl) carbamate?
The canonical SMILES for (3-methoxy-4-methylidenecyclohexyl) carbamate is C=C1CCC(OC(N)=O)CC1OC.
What is the InChIKey of (3-methoxy-4-methylidenecyclohexyl) carbamate?
The InChIKey is UTZWNPYPJLXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-3-4-7(13-9(10)11)5-8(6)12-2/h7-8H,1,3-5H2,2H3,(H2,10,11).
What are the key properties of (3-methoxy-4-methylidenecyclohexyl) carbamate?
(3-methoxy-4-methylidenecyclohexyl) carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylidenecyclohexyl) carbamate is sourced from PubChem (CID 91337664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).