1-methylidenecyclopropa[e]azulene

C12H8 — CID 143423125

IUPAC1-methylidenecyclopropa[e]azulene
SMILESC=C1c2cccc3cccc-3c21
InChIInChI=1S/C12H8/c1-8-10-6-2-4-9-5-3-7-11(9)12(8)10/h2-7H,1H2
InChIKeyGRUYABCBTWDDAD-UHFFFAOYSA-N
MW152.20 g/mol
LogP3.17
Rot. Bonds

About 1-methylidenecyclopropa[e]azulene

1-methylidenecyclopropa[e]azulene (PubChem CID 143423125) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methylidenecyclopropa[e]azulene.

Molecular Properties

Compound Name1-methylidenecyclopropa[e]azulene
PubChem CID143423125
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Name1-methylidenecyclopropa[e]azulene
SMILESC=C1c2cccc3cccc-3c21
InChIInChI=1S/C12H8/c1-8-10-6-2-4-9-5-3-7-11(9)12(8)10/h2-7H,1H2
InChIKeyGRUYABCBTWDDAD-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
1,8-diphenylanthracene-9,10-dione
CID 12637584
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
4-methyl-9-methylidenefluorene
CID 59208223
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1-methyl-4,8-diphenylazulene
CID 86056773
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364

Frequently Asked Questions

What is the IUPAC name of 1-methylidenecyclopropa[e]azulene?
The IUPAC name of 1-methylidenecyclopropa[e]azulene (CID 143423125) is 1-methylidenecyclopropa[e]azulene.
What is the SMILES notation for 1-methylidenecyclopropa[e]azulene?
The canonical SMILES for 1-methylidenecyclopropa[e]azulene is C=C1c2cccc3cccc-3c21.
What is the InChIKey of 1-methylidenecyclopropa[e]azulene?
The InChIKey is GRUYABCBTWDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-8-10-6-2-4-9-5-3-7-11(9)12(8)10/h2-7H,1H2.
What are the key properties of 1-methylidenecyclopropa[e]azulene?
1-methylidenecyclopropa[e]azulene has a molecular weight of 152.20 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidenecyclopropa[e]azulene is sourced from PubChem (CID 143423125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).