(5-methylidenecyclopent-2-en-1-yl)methylbenzene

C13H14 — CID 123813408

IUPAC(5-methylidenecyclopent-2-en-1-yl)methylbenzene
SMILESC=C1CC=CC1Cc1ccccc1
InChIInChI=1S/C13H14/c1-11-6-5-9-13(11)10-12-7-3-2-4-8-12/h2-5,7-9,13H,1,6,10H2
InChIKeyWODMRMIWMDRXHP-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.36
Rot. Bonds2

About (5-methylidenecyclopent-2-en-1-yl)methylbenzene

(5-methylidenecyclopent-2-en-1-yl)methylbenzene (PubChem CID 123813408) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5-methylidenecyclopent-2-en-1-yl)methylbenzene.

Molecular Properties

Compound Name(5-methylidenecyclopent-2-en-1-yl)methylbenzene
PubChem CID123813408
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name(5-methylidenecyclopent-2-en-1-yl)methylbenzene
SMILESC=C1CC=CC1Cc1ccccc1
InChIInChI=1S/C13H14/c1-11-6-5-9-13(11)10-12-7-3-2-4-8-12/h2-5,7-9,13H,1,6,10H2
InChIKeyWODMRMIWMDRXHP-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene
CID 135075375
6-benzylcyclohexa-2,4-dien-1-one
CID 14833665
(5-chloro-2-methylidenecyclohexyl)methylbenzene
CID 90796633
3-benzyl-2-methylideneoxolane
CID 173031154
2-benzyl-1,2-dihydroazete
CID 145299473
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2,4,6-tribenzyl-1,3,5-trithiane
CID 15804274
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(4-benzylcyclobut-2-yn-1-yl)methylbenzene
CID 140793288
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
(4S,7S)-4,7-dibenzyl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10742121

Frequently Asked Questions

What is the IUPAC name of (5-methylidenecyclopent-2-en-1-yl)methylbenzene?
The IUPAC name of (5-methylidenecyclopent-2-en-1-yl)methylbenzene (CID 123813408) is (5-methylidenecyclopent-2-en-1-yl)methylbenzene.
What is the SMILES notation for (5-methylidenecyclopent-2-en-1-yl)methylbenzene?
The canonical SMILES for (5-methylidenecyclopent-2-en-1-yl)methylbenzene is C=C1CC=CC1Cc1ccccc1.
What is the InChIKey of (5-methylidenecyclopent-2-en-1-yl)methylbenzene?
The InChIKey is WODMRMIWMDRXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-11-6-5-9-13(11)10-12-7-3-2-4-8-12/h2-5,7-9,13H,1,6,10H2.
What are the key properties of (5-methylidenecyclopent-2-en-1-yl)methylbenzene?
(5-methylidenecyclopent-2-en-1-yl)methylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylidenecyclopent-2-en-1-yl)methylbenzene is sourced from PubChem (CID 123813408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).