methyl N-(1-methylcyclohex-2-en-1-yl)carbamate

C9H15NO2 — CID 10487331

IUPACmethyl N-(1-methylcyclohex-2-en-1-yl)carbamate
SMILESCOC(=O)NC1(C)C=CCCC1
InChIInChI=1S/C9H15NO2/c1-9(10-8(11)12-2)6-4-3-5-7-9/h4,6H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyRXXOVHULQCQGJI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.84
Rot. Bonds1

About methyl N-(1-methylcyclohex-2-en-1-yl)carbamate

methyl N-(1-methylcyclohex-2-en-1-yl)carbamate (PubChem CID 10487331) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl N-(1-methylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methylcyclohex-2-en-1-yl)carbamate
PubChem CID10487331
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl N-(1-methylcyclohex-2-en-1-yl)carbamate
SMILESCOC(=O)NC1(C)C=CCCC1
InChIInChI=1S/C9H15NO2/c1-9(10-8(11)12-2)6-4-3-5-7-9/h4,6H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyRXXOVHULQCQGJI-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 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 ≤ 51.84
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 methyl N-(1-methylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of methyl N-(1-methylcyclohex-2-en-1-yl)carbamate (CID 10487331) is methyl N-(1-methylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for methyl N-(1-methylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for methyl N-(1-methylcyclohex-2-en-1-yl)carbamate is COC(=O)NC1(C)C=CCCC1.
What is the InChIKey of methyl N-(1-methylcyclohex-2-en-1-yl)carbamate?
The InChIKey is RXXOVHULQCQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(10-8(11)12-2)6-4-3-5-7-9/h4,6H,3,5,7H2,1-2H3,(H,10,11).
What are the key properties of methyl N-(1-methylcyclohex-2-en-1-yl)carbamate?
methyl N-(1-methylcyclohex-2-en-1-yl)carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 10487331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).