[(1R)-3-methylcyclohex-2-en-1-yl] carbamate

C8H13NO2 — CID 138976339

IUPAC[(1R)-3-methylcyclohex-2-en-1-yl] carbamate
SMILESCC1=C[C@H](OC(N)=O)CCC1
InChIInChI=1S/C8H13NO2/c1-6-3-2-4-7(5-6)11-8(9)10/h5,7H,2-4H2,1H3,(H2,9,10)/t7-/m1/s1
InChIKeyRICLOYSYFOKBBX-SSDOTTSWSA-N
MW155.20 g/mol
LogP1.58
Rot. Bonds1

About [(1R)-3-methylcyclohex-2-en-1-yl] carbamate

[(1R)-3-methylcyclohex-2-en-1-yl] carbamate (PubChem CID 138976339) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [(1R)-3-methylcyclohex-2-en-1-yl] carbamate.

Molecular Properties

Compound Name[(1R)-3-methylcyclohex-2-en-1-yl] carbamate
PubChem CID138976339
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[(1R)-3-methylcyclohex-2-en-1-yl] carbamate
SMILESCC1=C[C@H](OC(N)=O)CCC1
InChIInChI=1S/C8H13NO2/c1-6-3-2-4-7(5-6)11-8(9)10/h5,7H,2-4H2,1H3,(H2,9,10)/t7-/m1/s1
InChIKeyRICLOYSYFOKBBX-SSDOTTSWSA-N
XLogP1.58
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 ≤ 51.58
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 [(1R)-3-methylcyclohex-2-en-1-yl] carbamate?
The IUPAC name of [(1R)-3-methylcyclohex-2-en-1-yl] carbamate (CID 138976339) is [(1R)-3-methylcyclohex-2-en-1-yl] carbamate.
What is the SMILES notation for [(1R)-3-methylcyclohex-2-en-1-yl] carbamate?
The canonical SMILES for [(1R)-3-methylcyclohex-2-en-1-yl] carbamate is CC1=C[C@H](OC(N)=O)CCC1.
What is the InChIKey of [(1R)-3-methylcyclohex-2-en-1-yl] carbamate?
The InChIKey is RICLOYSYFOKBBX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-2-4-7(5-6)11-8(9)10/h5,7H,2-4H2,1H3,(H2,9,10)/t7-/m1/s1.
What are the key properties of [(1R)-3-methylcyclohex-2-en-1-yl] carbamate?
[(1R)-3-methylcyclohex-2-en-1-yl] carbamate has a molecular weight of 155.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methylcyclohex-2-en-1-yl] carbamate is sourced from PubChem (CID 138976339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).