7-propan-2-ylidenebicyclo[2.2.1]heptane

C10H16 — CID 11073488

IUPAC7-propan-2-ylidenebicyclo[2.2.1]heptane
SMILESCC(C)=C1C2CCC1CC2
InChIInChI=1S/C10H16/c1-7(2)10-8-3-4-9(10)6-5-8/h8-9H,3-6H2,1-2H3
InChIKeyKQDACLVVULKSKR-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 7-propan-2-ylidenebicyclo[2.2.1]heptane

7-propan-2-ylidenebicyclo[2.2.1]heptane (PubChem CID 11073488) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-propan-2-ylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-propan-2-ylidenebicyclo[2.2.1]heptane
PubChem CID11073488
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-propan-2-ylidenebicyclo[2.2.1]heptane
SMILESCC(C)=C1C2CCC1CC2
InChIInChI=1S/C10H16/c1-7(2)10-8-3-4-9(10)6-5-8/h8-9H,3-6H2,1-2H3
InChIKeyKQDACLVVULKSKR-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 7-propan-2-ylidenebicyclo[2.2.1]heptane?
The IUPAC name of 7-propan-2-ylidenebicyclo[2.2.1]heptane (CID 11073488) is 7-propan-2-ylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 7-propan-2-ylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 7-propan-2-ylidenebicyclo[2.2.1]heptane is CC(C)=C1C2CCC1CC2.
What is the InChIKey of 7-propan-2-ylidenebicyclo[2.2.1]heptane?
The InChIKey is KQDACLVVULKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10-8-3-4-9(10)6-5-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 7-propan-2-ylidenebicyclo[2.2.1]heptane?
7-propan-2-ylidenebicyclo[2.2.1]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 11073488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).