5-methyl-4-prop-1-enyl-7H-benzo[7]annulene

C15H16 — CID 91189228

IUPAC5-methyl-4-prop-1-enyl-7H-benzo[7]annulene
SMILESCC=Cc1cccc2c1C(C)=CCC=C2
InChIInChI=1S/C15H16/c1-3-7-13-10-6-11-14-9-5-4-8-12(2)15(13)14/h3,5-11H,4H2,1-2H3
InChIKeyACCGBGBEVOXYLQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.54
Rot. Bonds1

About 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene

5-methyl-4-prop-1-enyl-7H-benzo[7]annulene (PubChem CID 91189228) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene.

Molecular Properties

Compound Name5-methyl-4-prop-1-enyl-7H-benzo[7]annulene
PubChem CID91189228
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name5-methyl-4-prop-1-enyl-7H-benzo[7]annulene
SMILESCC=Cc1cccc2c1C(C)=CCC=C2
InChIInChI=1S/C15H16/c1-3-7-13-10-6-11-14-9-5-4-8-12(2)15(13)14/h3,5-11H,4H2,1-2H3
InChIKeyACCGBGBEVOXYLQ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene 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

1-methylidene-7-[(Z)-prop-1-enyl]indene
CID 144897123
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 156829668
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
ethane;molecular hydrogen;tetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),6,9,11,13,15-octaene
CID 142298206
2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
2-(2-hydroxyphenyl)-3-prop-1-enylphenol
CID 175962798
N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine
CID 155395667
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
2-chloro-1-methyl-3-prop-1-enylbenzene
CID 123915318
2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol
CID 10313264
3,4-dichloro-2-methylcyclohepta-1,3,5-triene
CID 142429780

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene?
The IUPAC name of 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene (CID 91189228) is 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene.
What is the SMILES notation for 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene?
The canonical SMILES for 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene is CC=Cc1cccc2c1C(C)=CCC=C2.
What is the InChIKey of 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene?
The InChIKey is ACCGBGBEVOXYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-3-7-13-10-6-11-14-9-5-4-8-12(2)15(13)14/h3,5-11H,4H2,1-2H3.
What are the key properties of 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene?
5-methyl-4-prop-1-enyl-7H-benzo[7]annulene has a molecular weight of 196.29 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-1-enyl-7H-benzo[7]annulene is sourced from PubChem (CID 91189228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).