7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one

C16H16N2O — CID 13012439

IUPAC7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)nnc2C1
InChIInChI=1S/C16H16N2O/c1-16(2)9-14-12(15(19)10-16)8-13(17-18-14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChIKeyOTAOLTGUGCNCAX-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.30
Rot. Bonds1

About 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one

7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one (PubChem CID 13012439) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one
PubChem CID13012439
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)nnc2C1
InChIInChI=1S/C16H16N2O/c1-16(2)9-14-12(15(19)10-16)8-13(17-18-14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChIKeyOTAOLTGUGCNCAX-UHFFFAOYSA-N
XLogP3.30
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one?
The IUPAC name of 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one (CID 13012439) is 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one.
What is the SMILES notation for 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one?
The canonical SMILES for 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one is CC1(C)CC(=O)c2cc(-c3ccccc3)nnc2C1.
What is the InChIKey of 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one?
The InChIKey is OTAOLTGUGCNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(2)9-14-12(15(19)10-16)8-13(17-18-14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one?
7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one has a molecular weight of 252.32 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-phenyl-6,8-dihydrocinnolin-5-one is sourced from PubChem (CID 13012439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).