pent-1-en-2-ylbenzene

C11H14 — CID 521761

IUPACpent-1-en-2-ylbenzene
SMILESC=C(CCC)c1ccccc1
InChIInChI=1S/C11H14/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7H2,1H3
InChIKeyANGVCCXFJKHNDS-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.50
Rot. Bonds3

About pent-1-en-2-ylbenzene

pent-1-en-2-ylbenzene (PubChem CID 521761) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is pent-1-en-2-ylbenzene.

Molecular Properties

Compound Namepent-1-en-2-ylbenzene
PubChem CID521761
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Namepent-1-en-2-ylbenzene
SMILESC=C(CCC)c1ccccc1
InChIInChI=1S/C11H14/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7H2,1H3
InChIKeyANGVCCXFJKHNDS-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pent-1-en-2-ylbenzene 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

hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
5-methylhept-1-en-2-ylbenzene
CID 90870775
2-phenylprop-2-en-1-amine;propane
CID 143101756
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345
5-chlorohept-1-en-2-ylbenzene
CID 66808379
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene
CID 173447370
CID 101454794
CID 101454794
1-phenylpentane-1,2-di(18O2)one
CID 53475284
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
2-(4-pent-1-en-2-ylphenyl)benzonitrile
CID 143621524
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
1-phenylbutan-1-one
CID 10315

Frequently Asked Questions

What is the IUPAC name of pent-1-en-2-ylbenzene?
The IUPAC name of pent-1-en-2-ylbenzene (CID 521761) is pent-1-en-2-ylbenzene.
What is the SMILES notation for pent-1-en-2-ylbenzene?
The canonical SMILES for pent-1-en-2-ylbenzene is C=C(CCC)c1ccccc1.
What is the InChIKey of pent-1-en-2-ylbenzene?
The InChIKey is ANGVCCXFJKHNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of pent-1-en-2-ylbenzene?
pent-1-en-2-ylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-2-ylbenzene is sourced from PubChem (CID 521761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).