1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene

C13H16 — CID 145094183

IUPAC1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C2(C)CC2)cc1
InChIInChI=1S/C13H16/c1-10(2)11-4-6-12(7-5-11)13(3)8-9-13/h4-7H,1,8-9H2,2-3H3
InChIKeyWMHPIWHYYXWWAK-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.77
Rot. Bonds2

About 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene

1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene (PubChem CID 145094183) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene
PubChem CID145094183
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C2(C)CC2)cc1
InChIInChI=1S/C13H16/c1-10(2)11-4-6-12(7-5-11)13(3)8-9-13/h4-7H,1,8-9H2,2-3H3
InChIKeyWMHPIWHYYXWWAK-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene (CID 145094183) is 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C2(C)CC2)cc1.
What is the InChIKey of 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene?
The InChIKey is WMHPIWHYYXWWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-10(2)11-4-6-12(7-5-11)13(3)8-9-13/h4-7H,1,8-9H2,2-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene?
1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 145094183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).