2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene

C13H18 — CID 10844978

IUPAC2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene
SMILESC=CC1=C(C)CCC=C(C(=C)C)C1
InChIInChI=1S/C13H18/c1-5-12-9-13(10(2)3)8-6-7-11(12)4/h5,8H,1-2,6-7,9H2,3-4H3
InChIKeyLPBYQQGHNBZPFK-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.18
Rot. Bonds2

About 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene

2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene (PubChem CID 10844978) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene.

Molecular Properties

Compound Name2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene
PubChem CID10844978
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene
SMILESC=CC1=C(C)CCC=C(C(=C)C)C1
InChIInChI=1S/C13H18/c1-5-12-9-13(10(2)3)8-6-7-11(12)4/h5,8H,1-2,6-7,9H2,3-4H3
InChIKeyLPBYQQGHNBZPFK-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
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2,6-dimethylcyclohexa-1,5-dien-1-ol
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1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
CID 166131754
1-buta-1,3-dienyl-2-methylcycloocta-1,5-diene
CID 173320452
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651
5-ethenyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 142279330
1-phenyl-6-prop-1-en-2-yl-8,9-dihydro-5H-imidazo[1,5-a]azepine
CID 86090524
6-ethenyl-2-methyl-3,4-dihydropyridine
CID 123371098
N-[1-(3-bromocyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine
CID 142562392
5-prop-1-en-2-yl-N,N-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-1,5-dien-1-amine
CID 143619253

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene?
The IUPAC name of 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene (CID 10844978) is 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene.
What is the SMILES notation for 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene?
The canonical SMILES for 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene is C=CC1=C(C)CCC=C(C(=C)C)C1.
What is the InChIKey of 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene?
The InChIKey is LPBYQQGHNBZPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-5-12-9-13(10(2)3)8-6-7-11(12)4/h5,8H,1-2,6-7,9H2,3-4H3.
What are the key properties of 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene?
2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene has a molecular weight of 174.29 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene is sourced from PubChem (CID 10844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).