cyclohex-3-en-1-yl(methyl)carbamic acid

C8H13NO2 — CID 141218160

IUPACcyclohex-3-en-1-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1CC=CCC1
InChIInChI=1S/C8H13NO2/c1-9(8(10)11)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,10,11)
InChIKeyBBIKDVABNIITAR-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.70
Rot. Bonds1

About cyclohex-3-en-1-yl(methyl)carbamic acid

cyclohex-3-en-1-yl(methyl)carbamic acid (PubChem CID 141218160) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(methyl)carbamic acid.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(methyl)carbamic acid
PubChem CID141218160
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namecyclohex-3-en-1-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1CC=CCC1
InChIInChI=1S/C8H13NO2/c1-9(8(10)11)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,10,11)
InChIKeyBBIKDVABNIITAR-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 cyclohex-3-en-1-yl(methyl)carbamic acid?
The IUPAC name of cyclohex-3-en-1-yl(methyl)carbamic acid (CID 141218160) is cyclohex-3-en-1-yl(methyl)carbamic acid.
What is the SMILES notation for cyclohex-3-en-1-yl(methyl)carbamic acid?
The canonical SMILES for cyclohex-3-en-1-yl(methyl)carbamic acid is CN(C(=O)O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl(methyl)carbamic acid?
The InChIKey is BBIKDVABNIITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(8(10)11)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,10,11).
What are the key properties of cyclohex-3-en-1-yl(methyl)carbamic acid?
cyclohex-3-en-1-yl(methyl)carbamic acid has a molecular weight of 155.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(methyl)carbamic acid is sourced from PubChem (CID 141218160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).