1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene

C16H20 — CID 134863597

IUPAC1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene
SMILESCc1cccc(/C=C/C2=CCCCCC2)c1
InChIInChI=1S/C16H20/c1-14-7-6-10-16(13-14)12-11-15-8-4-2-3-5-9-15/h6-8,10-13H,2-5,9H2,1H3/b12-11+
InChIKeyWDJWXVHKUMMOHU-VAWYXSNFSA-N
MW212.34 g/mol
LogP4.90
Rot. Bonds2

About 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene

1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene (PubChem CID 134863597) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene.

Molecular Properties

Compound Name1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene
PubChem CID134863597
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene
SMILESCc1cccc(/C=C/C2=CCCCCC2)c1
InChIInChI=1S/C16H20/c1-14-7-6-10-16(13-14)12-11-15-8-4-2-3-5-9-15/h6-8,10-13H,2-5,9H2,1H3/b12-11+
InChIKeyWDJWXVHKUMMOHU-VAWYXSNFSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
CID 70063613
1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene
CID 59951418
N-methyl-3-(3-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731743
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene?
The IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene (CID 134863597) is 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene.
What is the SMILES notation for 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene?
The canonical SMILES for 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene is Cc1cccc(/C=C/C2=CCCCCC2)c1.
What is the InChIKey of 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene?
The InChIKey is WDJWXVHKUMMOHU-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H20/c1-14-7-6-10-16(13-14)12-11-15-8-4-2-3-5-9-15/h6-8,10-13H,2-5,9H2,1H3/b12-11+.
What are the key properties of 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene?
1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene has a molecular weight of 212.34 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methylphenyl)ethenyl]cycloheptene is sourced from PubChem (CID 134863597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).