2-(1-methylcyclopropyl)but-3-enylbenzene

C14H18 — CID 142432672

IUPAC2-(1-methylcyclopropyl)but-3-enylbenzene
SMILESC=CC(Cc1ccccc1)C1(C)CC1
InChIInChI=1S/C14H18/c1-3-13(14(2)9-10-14)11-12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3
InChIKeyIDDFWZHUJUFPCZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.83
Rot. Bonds4

About 2-(1-methylcyclopropyl)but-3-enylbenzene

2-(1-methylcyclopropyl)but-3-enylbenzene (PubChem CID 142432672) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)but-3-enylbenzene.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)but-3-enylbenzene
PubChem CID142432672
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2-(1-methylcyclopropyl)but-3-enylbenzene
SMILESC=CC(Cc1ccccc1)C1(C)CC1
InChIInChI=1S/C14H18/c1-3-13(14(2)9-10-14)11-12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3
InChIKeyIDDFWZHUJUFPCZ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.83
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

3-(1-methylcyclohexyl)pent-4-enylbenzene
CID 15445454
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
CID 106828895
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
2-ethenyltetradecylbenzene
CID 173452613
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
dichloro-methyl-(1-phenylbut-3-en-2-yl)silane
CID 139671887
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
(2S)-2-benzylbut-3-en-1-ol
CID 11084196
N-(1-phenylbut-3-en-2-yl)methanimine
CID 163597211
ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine
CID 142543502
(2S,3S)-2-benzyl-3-methylpent-4-enoic acid
CID 101105346
trichloro(1-phenylbut-3-en-2-yl)silane
CID 21185625

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)but-3-enylbenzene?
The IUPAC name of 2-(1-methylcyclopropyl)but-3-enylbenzene (CID 142432672) is 2-(1-methylcyclopropyl)but-3-enylbenzene.
What is the SMILES notation for 2-(1-methylcyclopropyl)but-3-enylbenzene?
The canonical SMILES for 2-(1-methylcyclopropyl)but-3-enylbenzene is C=CC(Cc1ccccc1)C1(C)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)but-3-enylbenzene?
The InChIKey is IDDFWZHUJUFPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-13(14(2)9-10-14)11-12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3.
What are the key properties of 2-(1-methylcyclopropyl)but-3-enylbenzene?
2-(1-methylcyclopropyl)but-3-enylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)but-3-enylbenzene is sourced from PubChem (CID 142432672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).