7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene

C11H12 — CID 90927055

IUPAC7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene
SMILESCCCC1C=C2C3=C(C=C3)C21
InChIInChI=1S/C11H12/c1-2-3-7-6-10-8-4-5-9(8)11(7)10/h4-7,11H,2-3H2,1H3
InChIKeyALUIOHHJPJIVMW-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.84
Rot. Bonds2

About 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene

7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene (PubChem CID 90927055) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene.

Molecular Properties

Compound Name7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene
PubChem CID90927055
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene
SMILESCCCC1C=C2C3=C(C=C3)C21
InChIInChI=1S/C11H12/c1-2-3-7-6-10-8-4-5-9(8)11(7)10/h4-7,11H,2-3H2,1H3
InChIKeyALUIOHHJPJIVMW-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene
CID 142148420
2-(1,1-difluoroprop-2-enyl)-5-ethyl-6-methylcyclohexa-1,3-diene
CID 166976495
1-methyl-3-propylcyclobutene
CID 14434507
6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine
CID 162583468
3-propylcyclopropene
CID 19958669
4-methyl-3-propylcyclopentene
CID 91050594
3-ethyl-2-propyl-2H-azirine
CID 149465401
4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene
CID 123496314
N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 163983354
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
4,5-dipropylcyclohex-2-en-1-ol
CID 101312145

Frequently Asked Questions

What is the IUPAC name of 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene?
The IUPAC name of 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene (CID 90927055) is 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene.
What is the SMILES notation for 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene?
The canonical SMILES for 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene is CCCC1C=C2C3=C(C=C3)C21.
What is the InChIKey of 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene?
The InChIKey is ALUIOHHJPJIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-3-7-6-10-8-4-5-9(8)11(7)10/h4-7,11H,2-3H2,1H3.
What are the key properties of 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene?
7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene has a molecular weight of 144.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene is sourced from PubChem (CID 90927055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).