(2-methylcyclopent-2-en-1-yl) cyanate

C7H9NO — CID 130191258

IUPAC(2-methylcyclopent-2-en-1-yl) cyanate
SMILESCC1=CCCC1OC#N
InChIInChI=1S/C7H9NO/c1-6-3-2-4-7(6)9-5-8/h3,7H,2,4H2,1H3
InChIKeyXVHFTBPLKOEQLS-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.59
Rot. Bonds1

About (2-methylcyclopent-2-en-1-yl) cyanate

(2-methylcyclopent-2-en-1-yl) cyanate (PubChem CID 130191258) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (2-methylcyclopent-2-en-1-yl) cyanate.

Molecular Properties

Compound Name(2-methylcyclopent-2-en-1-yl) cyanate
PubChem CID130191258
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(2-methylcyclopent-2-en-1-yl) cyanate
SMILESCC1=CCCC1OC#N
InChIInChI=1S/C7H9NO/c1-6-3-2-4-7(6)9-5-8/h3,7H,2,4H2,1H3
InChIKeyXVHFTBPLKOEQLS-UHFFFAOYSA-N
XLogP1.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopent-2-en-1-yl) cyanate?
The IUPAC name of (2-methylcyclopent-2-en-1-yl) cyanate (CID 130191258) is (2-methylcyclopent-2-en-1-yl) cyanate.
What is the SMILES notation for (2-methylcyclopent-2-en-1-yl) cyanate?
The canonical SMILES for (2-methylcyclopent-2-en-1-yl) cyanate is CC1=CCCC1OC#N.
What is the InChIKey of (2-methylcyclopent-2-en-1-yl) cyanate?
The InChIKey is XVHFTBPLKOEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-3-2-4-7(6)9-5-8/h3,7H,2,4H2,1H3.
What are the key properties of (2-methylcyclopent-2-en-1-yl) cyanate?
(2-methylcyclopent-2-en-1-yl) cyanate has a molecular weight of 123.15 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopent-2-en-1-yl) cyanate is sourced from PubChem (CID 130191258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).