tricyclo[2.2.1.01,3]hepta-3,5-diene

C7H6 — CID 163566431

IUPACtricyclo[2.2.1.01,3]hepta-3,5-diene
SMILESC1=CC23CC1=C2C3
InChIInChI=1S/C7H6/c1-2-7-3-5(1)6(7)4-7/h1-2H,3-4H2
InChIKeyFVPGMMQBPLNHLS-UHFFFAOYSA-N
MW90.12 g/mol
LogP1.65
Rot. Bonds

About tricyclo[2.2.1.01,3]hepta-3,5-diene

tricyclo[2.2.1.01,3]hepta-3,5-diene (PubChem CID 163566431) has the molecular formula C7H6 and a molecular weight of 90.12 g/mol. Its IUPAC name is tricyclo[2.2.1.01,3]hepta-3,5-diene.

Molecular Properties

Compound Nametricyclo[2.2.1.01,3]hepta-3,5-diene
PubChem CID163566431
Molecular FormulaC7H6
Molecular Weight90.12 g/mol
Exact Mass90.05
IUPAC Nametricyclo[2.2.1.01,3]hepta-3,5-diene
SMILESC1=CC23CC1=C2C3
InChIInChI=1S/C7H6/c1-2-7-3-5(1)6(7)4-7/h1-2H,3-4H2
InChIKeyFVPGMMQBPLNHLS-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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8-tricyclo[5.3.1.01,5]undeca-3,5,7,9-tetraenyl formate
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1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
CID 58997577
2,4,4-trimethylcyclohexa-1,5-diene-1-carboxylic acid
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10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 139569197
5,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,5-diene-4,10-dione
CID 14337599
6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
CID 155716963
5,5-dimethyl-2-phenylcyclohexa-1,3-dien-1-ol
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2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103
1-(2-fluoro-4,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
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2-methylsulfinylcyclohexa-1,3-diene
CID 90854160
7'-bromospiro[cyclopropane-1,1'-indene]-5'-amine
CID 178069075

Frequently Asked Questions

What is the IUPAC name of tricyclo[2.2.1.01,3]hepta-3,5-diene?
The IUPAC name of tricyclo[2.2.1.01,3]hepta-3,5-diene (CID 163566431) is tricyclo[2.2.1.01,3]hepta-3,5-diene.
What is the SMILES notation for tricyclo[2.2.1.01,3]hepta-3,5-diene?
The canonical SMILES for tricyclo[2.2.1.01,3]hepta-3,5-diene is C1=CC23CC1=C2C3.
What is the InChIKey of tricyclo[2.2.1.01,3]hepta-3,5-diene?
The InChIKey is FVPGMMQBPLNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6/c1-2-7-3-5(1)6(7)4-7/h1-2H,3-4H2.
What are the key properties of tricyclo[2.2.1.01,3]hepta-3,5-diene?
tricyclo[2.2.1.01,3]hepta-3,5-diene has a molecular weight of 90.12 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[2.2.1.01,3]hepta-3,5-diene is sourced from PubChem (CID 163566431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).