azulene;1H-indene

C19H16 — CID 160524105

IUPACazulene;1H-indene
SMILESC1=Cc2ccccc2C1.c1ccc2cccc-2cc1
InChIInChI=1S/C10H8.C9H8/c1-2-5-9-7-4-8-10(9)6-3-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H;1-6H,7H2
InChIKeyQUQZPDJOTCHPHG-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.05
Rot. Bonds

About azulene;1H-indene

azulene;1H-indene (PubChem CID 160524105) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is azulene;1H-indene.

Molecular Properties

Compound Nameazulene;1H-indene
PubChem CID160524105
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Nameazulene;1H-indene
SMILESC1=Cc2ccccc2C1.c1ccc2cccc-2cc1
InChIInChI=1S/C10H8.C9H8/c1-2-5-9-7-4-8-10(9)6-3-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H;1-6H,7H2
InChIKeyQUQZPDJOTCHPHG-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1H-indene;methane
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1H-indene;methane
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CID 67393892
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1H-indene;phenol
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CID 91444603
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CID 159523195
carbanide;dichlorozirconium(2+);1H-indene;(4-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 158925857
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Frequently Asked Questions

What is the IUPAC name of azulene;1H-indene?
The IUPAC name of azulene;1H-indene (CID 160524105) is azulene;1H-indene.
What is the SMILES notation for azulene;1H-indene?
The canonical SMILES for azulene;1H-indene is C1=Cc2ccccc2C1.c1ccc2cccc-2cc1.
What is the InChIKey of azulene;1H-indene?
The InChIKey is QUQZPDJOTCHPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H8/c1-2-5-9-7-4-8-10(9)6-3-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H;1-6H,7H2.
What are the key properties of azulene;1H-indene?
azulene;1H-indene has a molecular weight of 244.34 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azulene;1H-indene is sourced from PubChem (CID 160524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).