2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene

C19H18 — CID 173332911

IUPAC2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene
SMILESC=C1C=C2C(=CC1)C2(CC)C1=Cc2ccccc2C1
InChIInChI=1S/C19H18/c1-3-19(17-9-8-13(2)10-18(17)19)16-11-14-6-4-5-7-15(14)12-16/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyZTAWZZQVQNKOHQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.85
Rot. Bonds2

About 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene

2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene (PubChem CID 173332911) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene.

Molecular Properties

Compound Name2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene
PubChem CID173332911
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene
SMILESC=C1C=C2C(=CC1)C2(CC)C1=Cc2ccccc2C1
InChIInChI=1S/C19H18/c1-3-19(17-9-8-13(2)10-18(17)19)16-11-14-6-4-5-7-15(14)12-16/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyZTAWZZQVQNKOHQ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(1H-inden-2-yl)-3-prop-2-enyl-1H-inden-2-one
CID 18368433
ethane;2-methyl-1H-indene
CID 54388135
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
3-methylidene-4H-isoquinoline
CID 57452380
[3-(1H-inden-2-yl)-2-methylpropyl]phosphane
CID 158075760
(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one
CID 90065912
CID 143131255
CID 143131255
2-methylselanyl-1H-indene
CID 11041997
ethane;3-methylidene-2H-naphthalene
CID 144558774
7-(1H-inden-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960136
1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene?
The IUPAC name of 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene (CID 173332911) is 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene.
What is the SMILES notation for 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene?
The canonical SMILES for 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene is C=C1C=C2C(=CC1)C2(CC)C1=Cc2ccccc2C1.
What is the InChIKey of 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene?
The InChIKey is ZTAWZZQVQNKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-3-19(17-9-8-13(2)10-18(17)19)16-11-14-6-4-5-7-15(14)12-16/h4-7,9-11H,2-3,8,12H2,1H3.
What are the key properties of 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene?
2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene has a molecular weight of 246.35 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3-methylidene-7-bicyclo[4.1.0]hepta-1,5-dienyl)-1H-indene is sourced from PubChem (CID 173332911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).