2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene

C10H6 — CID 163519172

IUPAC2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene
SMILESC=C1C2=C3C=CC1=C3C=C2
InChIInChI=1S/C10H6/c1-6-7-2-4-9-8(6)3-5-10(7)9/h2-5H,1H2
InChIKeyDJHCFXHDVORHJX-UHFFFAOYSA-N
MW126.16 g/mol
LogP2.29
Rot. Bonds

About 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene

2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene (PubChem CID 163519172) has the molecular formula C10H6 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene.

Molecular Properties

Compound Name2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene
PubChem CID163519172
Molecular FormulaC10H6
Molecular Weight126.16 g/mol
Exact Mass126.05
IUPAC Name2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene
SMILESC=C1C2=C3C=CC1=C3C=C2
InChIInChI=1S/C10H6/c1-6-7-2-4-9-8(6)3-5-10(7)9/h2-5H,1H2
InChIKeyDJHCFXHDVORHJX-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene?
The IUPAC name of 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene (CID 163519172) is 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene.
What is the SMILES notation for 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene?
The canonical SMILES for 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene is C=C1C2=C3C=CC1=C3C=C2.
What is the InChIKey of 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene?
The InChIKey is DJHCFXHDVORHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6/c1-6-7-2-4-9-8(6)3-5-10(7)9/h2-5H,1H2.
What are the key properties of 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene?
2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene has a molecular weight of 126.16 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenetricyclo[4.3.0.03,7]nona-1(6),3(7),4,8-tetraene is sourced from PubChem (CID 163519172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).