7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one

C16H18N2O — CID 5260280

IUPAC7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C2
InChIInChI=1S/C16H18N2O/c1-16(2)9-14-12(15(19)10-16)8-13(17-18-14)11-6-4-3-5-7-11/h3-7,18H,8-10H2,1-2H3
InChIKeyREBKRPZPHKECSJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.03
Rot. Bonds1

About 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one

7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one (PubChem CID 5260280) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one
PubChem CID5260280
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C2
InChIInChI=1S/C16H18N2O/c1-16(2)9-14-12(15(19)10-16)8-13(17-18-14)11-6-4-3-5-7-11/h3-7,18H,8-10H2,1-2H3
InChIKeyREBKRPZPHKECSJ-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one?
The IUPAC name of 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one (CID 5260280) is 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one.
What is the SMILES notation for 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one?
The canonical SMILES for 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one is CC1(C)CC(=O)C2=C(C1)NN=C(c1ccccc1)C2.
What is the InChIKey of 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one?
The InChIKey is REBKRPZPHKECSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2)9-14-12(15(19)10-16)8-13(17-18-14)11-6-4-3-5-7-11/h3-7,18H,8-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one?
7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one has a molecular weight of 254.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-phenyl-1,4,6,8-tetrahydrocinnolin-5-one is sourced from PubChem (CID 5260280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).