(3-methylcyclopent-3-en-1-yl)carbamic acid

C7H11NO2 — CID 68919418

IUPAC(3-methylcyclopent-3-en-1-yl)carbamic acid
SMILESCC1=CCC(NC(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-5-2-3-6(4-5)8-7(9)10/h2,6,8H,3-4H2,1H3,(H,9,10)
InChIKeyLMXGAERLZKWJJN-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds1

About (3-methylcyclopent-3-en-1-yl)carbamic acid

(3-methylcyclopent-3-en-1-yl)carbamic acid (PubChem CID 68919418) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3-methylcyclopent-3-en-1-yl)carbamic acid.

Molecular Properties

Compound Name(3-methylcyclopent-3-en-1-yl)carbamic acid
PubChem CID68919418
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3-methylcyclopent-3-en-1-yl)carbamic acid
SMILESCC1=CCC(NC(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-5-2-3-6(4-5)8-7(9)10/h2,6,8H,3-4H2,1H3,(H,9,10)
InChIKeyLMXGAERLZKWJJN-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
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 (3-methylcyclopent-3-en-1-yl)carbamic acid?
The IUPAC name of (3-methylcyclopent-3-en-1-yl)carbamic acid (CID 68919418) is (3-methylcyclopent-3-en-1-yl)carbamic acid.
What is the SMILES notation for (3-methylcyclopent-3-en-1-yl)carbamic acid?
The canonical SMILES for (3-methylcyclopent-3-en-1-yl)carbamic acid is CC1=CCC(NC(=O)O)C1.
What is the InChIKey of (3-methylcyclopent-3-en-1-yl)carbamic acid?
The InChIKey is LMXGAERLZKWJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-2-3-6(4-5)8-7(9)10/h2,6,8H,3-4H2,1H3,(H,9,10).
What are the key properties of (3-methylcyclopent-3-en-1-yl)carbamic acid?
(3-methylcyclopent-3-en-1-yl)carbamic acid has a molecular weight of 141.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopent-3-en-1-yl)carbamic acid is sourced from PubChem (CID 68919418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).