2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one

C17H18N2O2 — CID 163656635

IUPAC2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CC(CC(=O)c1ccccc1)CC2
InChIInChI=1S/C17H18N2O2/c1-19-17(21)11-14-9-12(7-8-15(14)18-19)10-16(20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyUMZQYMUPSVZETJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one

2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 163656635) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID163656635
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CC(CC(=O)c1ccccc1)CC2
InChIInChI=1S/C17H18N2O2/c1-19-17(21)11-14-9-12(7-8-15(14)18-19)10-16(20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyUMZQYMUPSVZETJ-UHFFFAOYSA-N
XLogP2.16
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one (CID 163656635) is 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc2c(cc1=O)CC(CC(=O)c1ccccc1)CC2.
What is the InChIKey of 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is UMZQYMUPSVZETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-17(21)11-14-9-12(7-8-15(14)18-19)10-16(20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one?
2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 282.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 163656635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).