(4-methylidenecyclohexyl)methyl N-methylcarbamate

C10H17NO2 — CID 90941974

IUPAC(4-methylidenecyclohexyl)methyl N-methylcarbamate
SMILESC=C1CCC(COC(=O)NC)CC1
InChIInChI=1S/C10H17NO2/c1-8-3-5-9(6-4-8)7-13-10(12)11-2/h9H,1,3-7H2,2H3,(H,11,12)
InChIKeyBAIGJNGERCFLBC-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.09
Rot. Bonds2

About (4-methylidenecyclohexyl)methyl N-methylcarbamate

(4-methylidenecyclohexyl)methyl N-methylcarbamate (PubChem CID 90941974) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4-methylidenecyclohexyl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(4-methylidenecyclohexyl)methyl N-methylcarbamate
PubChem CID90941974
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4-methylidenecyclohexyl)methyl N-methylcarbamate
SMILESC=C1CCC(COC(=O)NC)CC1
InChIInChI=1S/C10H17NO2/c1-8-3-5-9(6-4-8)7-13-10(12)11-2/h9H,1,3-7H2,2H3,(H,11,12)
InChIKeyBAIGJNGERCFLBC-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.09
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 (4-methylidenecyclohexyl)methyl N-methylcarbamate?
The IUPAC name of (4-methylidenecyclohexyl)methyl N-methylcarbamate (CID 90941974) is (4-methylidenecyclohexyl)methyl N-methylcarbamate.
What is the SMILES notation for (4-methylidenecyclohexyl)methyl N-methylcarbamate?
The canonical SMILES for (4-methylidenecyclohexyl)methyl N-methylcarbamate is C=C1CCC(COC(=O)NC)CC1.
What is the InChIKey of (4-methylidenecyclohexyl)methyl N-methylcarbamate?
The InChIKey is BAIGJNGERCFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-3-5-9(6-4-8)7-13-10(12)11-2/h9H,1,3-7H2,2H3,(H,11,12).
What are the key properties of (4-methylidenecyclohexyl)methyl N-methylcarbamate?
(4-methylidenecyclohexyl)methyl N-methylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclohexyl)methyl N-methylcarbamate is sourced from PubChem (CID 90941974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).