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

C9H12N2O — CID 130652659

IUPAC2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-11-9(12)6-7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3
InChIKeyZZWFVYJZMKDMGQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.66
Rot. Bonds

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

2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 130652659) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID130652659
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C9H12N2O/c1-11-9(12)6-7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3
InChIKeyZZWFVYJZMKDMGQ-UHFFFAOYSA-N
XLogP0.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3(2H)-cinnolinone
CID 368585
2-(Trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 168798762
2-Methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one
CID 155921266
N,N-dimethyl-3-oxo-5,6,7,8-tetrahydrocinnoline-2-carboxamide
CID 68121296
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199716
2,5,6-Trimethyl-3(2H)-pyridazinone
CID 123800386
2,4-Dimethyl-5,6-dihydrophthalazin-1-one
CID 147363280
2,4-Dimethyl-6-propylpyridazin-3-one
CID 155699983
2,5-Dimethyl-6-propan-2-ylpyridazin-3-one
CID 162773622
7-Amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 162782731
2,4-Dimethyl-5,8-dihydrophthalazin-1-one
CID 163863343
5-Ethyl-2,6-dimethylpyridazin-3-one
CID 172614406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (CID 130652659) is 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is ZZWFVYJZMKDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-9(12)6-7-4-2-3-5-8(7)10-11/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
2-methyl-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 164.21 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 130652659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).