methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate

C10H17NO2 — CID 166839786

IUPACmethyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate
SMILESCOC(=O)NC1(C)C=CCC(C)C1
InChIInChI=1S/C10H17NO2/c1-8-5-4-6-10(2,7-8)11-9(12)13-3/h4,6,8H,5,7H2,1-3H3,(H,11,12)
InChIKeyHHBOCOLGRAYBJI-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.09
Rot. Bonds1

About methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate

methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate (PubChem CID 166839786) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate
PubChem CID166839786
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate
SMILESCOC(=O)NC1(C)C=CCC(C)C1
InChIInChI=1S/C10H17NO2/c1-8-5-4-6-10(2,7-8)11-9(12)13-3/h4,6,8H,5,7H2,1-3H3,(H,11,12)
InChIKeyHHBOCOLGRAYBJI-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate (CID 166839786) is methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate is COC(=O)NC1(C)C=CCC(C)C1.
What is the InChIKey of methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate?
The InChIKey is HHBOCOLGRAYBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-5-4-6-10(2,7-8)11-9(12)13-3/h4,6,8H,5,7H2,1-3H3,(H,11,12).
What are the key properties of methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate?
methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,5-dimethylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 166839786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).