1-prop-1-ynyltricyclo[4.1.0.02,7]heptane

C10H12 — CID 45079181

IUPAC1-prop-1-ynyltricyclo[4.1.0.02,7]heptane
SMILESCC#CC12C3CCCC1C32
InChIInChI=1S/C10H12/c1-2-6-10-7-4-3-5-8(10)9(7)10/h7-9H,3-5H2,1H3
InChIKeyZCEXWVNICHUBNB-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.06
Rot. Bonds

About 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane

1-prop-1-ynyltricyclo[4.1.0.02,7]heptane (PubChem CID 45079181) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane.

Molecular Properties

Compound Name1-prop-1-ynyltricyclo[4.1.0.02,7]heptane
PubChem CID45079181
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-prop-1-ynyltricyclo[4.1.0.02,7]heptane
SMILESCC#CC12C3CCCC1C32
InChIInChI=1S/C10H12/c1-2-6-10-7-4-3-5-8(10)9(7)10/h7-9H,3-5H2,1H3
InChIKeyZCEXWVNICHUBNB-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane?
The IUPAC name of 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane (CID 45079181) is 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane.
What is the SMILES notation for 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane?
The canonical SMILES for 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane is CC#CC12C3CCCC1C32.
What is the InChIKey of 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane?
The InChIKey is ZCEXWVNICHUBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-6-10-7-4-3-5-8(10)9(7)10/h7-9H,3-5H2,1H3.
What are the key properties of 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane?
1-prop-1-ynyltricyclo[4.1.0.02,7]heptane has a molecular weight of 132.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-ynyltricyclo[4.1.0.02,7]heptane is sourced from PubChem (CID 45079181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).