methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate

C11H19NO3 — CID 90869719

IUPACmethyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate
SMILESC=C1CCC(OC)C(CNC(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-8-4-5-10(14-2)9(6-8)7-12-11(13)15-3/h9-10H,1,4-7H2,2-3H3,(H,12,13)
InChIKeyBDENZMWVDXJHJX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds3

About methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate

methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate (PubChem CID 90869719) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate
PubChem CID90869719
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate
SMILESC=C1CCC(OC)C(CNC(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-8-4-5-10(14-2)9(6-8)7-12-11(13)15-3/h9-10H,1,4-7H2,2-3H3,(H,12,13)
InChIKeyBDENZMWVDXJHJX-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
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 methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate (CID 90869719) is methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate is C=C1CCC(OC)C(CNC(=O)OC)C1.
What is the InChIKey of methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate?
The InChIKey is BDENZMWVDXJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-5-10(14-2)9(6-8)7-12-11(13)15-3/h9-10H,1,4-7H2,2-3H3,(H,12,13).
What are the key properties of methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate?
methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate is sourced from PubChem (CID 90869719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).