1-(1H-inden-2-yl)-1,3a-dihydroazulene

C19H16 — CID 173121614

IUPAC1-(1H-inden-2-yl)-1,3a-dihydroazulene
SMILESC1=CC=C2C(C=C1)C=CC2C1=Cc2ccccc2C1
InChIInChI=1S/C19H16/c1-2-6-14-10-11-19(18(14)9-3-1)17-12-15-7-4-5-8-16(15)13-17/h1-12,14,19H,13H2
InChIKeySVCFQGJJTITVBI-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.48
Rot. Bonds1

About 1-(1H-inden-2-yl)-1,3a-dihydroazulene

1-(1H-inden-2-yl)-1,3a-dihydroazulene (PubChem CID 173121614) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1H-inden-2-yl)-1,3a-dihydroazulene.

Molecular Properties

Compound Name1-(1H-inden-2-yl)-1,3a-dihydroazulene
PubChem CID173121614
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name1-(1H-inden-2-yl)-1,3a-dihydroazulene
SMILESC1=CC=C2C(C=C1)C=CC2C1=Cc2ccccc2C1
InChIInChI=1S/C19H16/c1-2-6-14-10-11-19(18(14)9-3-1)17-12-15-7-4-5-8-16(15)13-17/h1-12,14,19H,13H2
InChIKeySVCFQGJJTITVBI-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-2-yl)-1,3a-dihydroazulene?
The IUPAC name of 1-(1H-inden-2-yl)-1,3a-dihydroazulene (CID 173121614) is 1-(1H-inden-2-yl)-1,3a-dihydroazulene.
What is the SMILES notation for 1-(1H-inden-2-yl)-1,3a-dihydroazulene?
The canonical SMILES for 1-(1H-inden-2-yl)-1,3a-dihydroazulene is C1=CC=C2C(C=C1)C=CC2C1=Cc2ccccc2C1.
What is the InChIKey of 1-(1H-inden-2-yl)-1,3a-dihydroazulene?
The InChIKey is SVCFQGJJTITVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-2-6-14-10-11-19(18(14)9-3-1)17-12-15-7-4-5-8-16(15)13-17/h1-12,14,19H,13H2.
What are the key properties of 1-(1H-inden-2-yl)-1,3a-dihydroazulene?
1-(1H-inden-2-yl)-1,3a-dihydroazulene has a molecular weight of 244.34 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-2-yl)-1,3a-dihydroazulene is sourced from PubChem (CID 173121614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).