1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane

C12H16 — CID 23436666

IUPAC1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
SMILESC1=CCC(C23CCC(CC2)C3)=C1
InChIInChI=1S/C12H16/c1-2-4-11(3-1)12-7-5-10(9-12)6-8-12/h1-3,10H,4-9H2
InChIKeyPEVBDAFRWFIFPI-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.45
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane

1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane (PubChem CID 23436666) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
PubChem CID23436666
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
SMILESC1=CCC(C23CCC(CC2)C3)=C1
InChIInChI=1S/C12H16/c1-2-4-11(3-1)12-7-5-10(9-12)6-8-12/h1-3,10H,4-9H2
InChIKeyPEVBDAFRWFIFPI-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane (CID 23436666) is 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane is C1=CCC(C23CCC(CC2)C3)=C1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
The InChIKey is PEVBDAFRWFIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-11(3-1)12-7-5-10(9-12)6-8-12/h1-3,10H,4-9H2.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane?
1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane has a molecular weight of 160.26 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 23436666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).