(6-methylcyclohex-2-en-1-yl) carbamate

C8H13NO2 — CID 174949561

IUPAC(6-methylcyclohex-2-en-1-yl) carbamate
SMILESCC1CCC=CC1OC(N)=O
InChIInChI=1S/C8H13NO2/c1-6-4-2-3-5-7(6)11-8(9)10/h3,5-7H,2,4H2,1H3,(H2,9,10)
InChIKeyUESHPWKBJPLFKN-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.44
Rot. Bonds1

About (6-methylcyclohex-2-en-1-yl) carbamate

(6-methylcyclohex-2-en-1-yl) carbamate (PubChem CID 174949561) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (6-methylcyclohex-2-en-1-yl) carbamate.

Molecular Properties

Compound Name(6-methylcyclohex-2-en-1-yl) carbamate
PubChem CID174949561
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(6-methylcyclohex-2-en-1-yl) carbamate
SMILESCC1CCC=CC1OC(N)=O
InChIInChI=1S/C8H13NO2/c1-6-4-2-3-5-7(6)11-8(9)10/h3,5-7H,2,4H2,1H3,(H2,9,10)
InChIKeyUESHPWKBJPLFKN-UHFFFAOYSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E)-8-methylcyclooct-2-en-1-yl] acetate
CID 159103280
(8-propan-2-yloxycyclooct-2-en-1-yl) carbamate
CID 163799221
(6-hydroxycyclooct-2-en-1-yl) carbamate
CID 123921756
(1S,2R)-2-methoxycyclohex-3-ene-1-carboxylic acid
CID 45084870
methyl (1S,4E,6S)-6-carbamoyloxycyclooct-4-ene-1-carboxylate
CID 177224563
[(1S,2R)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 12696434
[(1S,2S)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 11344622
[(1R,2R)-2-methylcyclopropyl] carbamate
CID 171719227
(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate
CID 20519530
(2,3,6-trimethylcyclohexyl) carbamate
CID 150007064
1-cyclopent-2-en-1-ylethanone
CID 12714402
(2-methylcyclohexyl) carbamate
CID 45090963

Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohex-2-en-1-yl) carbamate?
The IUPAC name of (6-methylcyclohex-2-en-1-yl) carbamate (CID 174949561) is (6-methylcyclohex-2-en-1-yl) carbamate.
What is the SMILES notation for (6-methylcyclohex-2-en-1-yl) carbamate?
The canonical SMILES for (6-methylcyclohex-2-en-1-yl) carbamate is CC1CCC=CC1OC(N)=O.
What is the InChIKey of (6-methylcyclohex-2-en-1-yl) carbamate?
The InChIKey is UESHPWKBJPLFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-4-2-3-5-7(6)11-8(9)10/h3,5-7H,2,4H2,1H3,(H2,9,10).
What are the key properties of (6-methylcyclohex-2-en-1-yl) carbamate?
(6-methylcyclohex-2-en-1-yl) carbamate has a molecular weight of 155.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohex-2-en-1-yl) carbamate is sourced from PubChem (CID 174949561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).