1-(4,4a-dihydrocinnolin-4-yl)ethanone

C10H10N2O — CID 70315315

IUPAC1-(4,4a-dihydrocinnolin-4-yl)ethanone
SMILESCC(=O)C1C=NN=C2C=CC=CC21
InChIInChI=1S/C10H10N2O/c1-7(13)9-6-11-12-10-5-3-2-4-8(9)10/h2-6,8-9H,1H3
InChIKeyYSCPBXOHQMXHLZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.37
Rot. Bonds1

About 1-(4,4a-dihydrocinnolin-4-yl)ethanone

1-(4,4a-dihydrocinnolin-4-yl)ethanone (PubChem CID 70315315) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(4,4a-dihydrocinnolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4,4a-dihydrocinnolin-4-yl)ethanone
PubChem CID70315315
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(4,4a-dihydrocinnolin-4-yl)ethanone
SMILESCC(=O)C1C=NN=C2C=CC=CC21
InChIInChI=1S/C10H10N2O/c1-7(13)9-6-11-12-10-5-3-2-4-8(9)10/h2-6,8-9H,1H3
InChIKeyYSCPBXOHQMXHLZ-UHFFFAOYSA-N
XLogP1.37
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4a-dihydrocinnolin-4-yl)ethanone?
The IUPAC name of 1-(4,4a-dihydrocinnolin-4-yl)ethanone (CID 70315315) is 1-(4,4a-dihydrocinnolin-4-yl)ethanone.
What is the SMILES notation for 1-(4,4a-dihydrocinnolin-4-yl)ethanone?
The canonical SMILES for 1-(4,4a-dihydrocinnolin-4-yl)ethanone is CC(=O)C1C=NN=C2C=CC=CC21.
What is the InChIKey of 1-(4,4a-dihydrocinnolin-4-yl)ethanone?
The InChIKey is YSCPBXOHQMXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7(13)9-6-11-12-10-5-3-2-4-8(9)10/h2-6,8-9H,1H3.
What are the key properties of 1-(4,4a-dihydrocinnolin-4-yl)ethanone?
1-(4,4a-dihydrocinnolin-4-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4a-dihydrocinnolin-4-yl)ethanone is sourced from PubChem (CID 70315315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).