N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide

C11H15N3O2 — CID 163837087

IUPACN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide
SMILESCC(=O)NC1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C11H15N3O2/c1-7(15)12-9-3-4-10-8(5-9)6-11(16)14(2)13-10/h6,9H,3-5H2,1-2H3,(H,12,15)
InChIKeyOIRQKLXCHILATP-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.23
Rot. Bonds1

About N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide

N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide (PubChem CID 163837087) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide
PubChem CID163837087
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide
SMILESCC(=O)NC1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C11H15N3O2/c1-7(15)12-9-3-4-10-8(5-9)6-11(16)14(2)13-10/h6,9H,3-5H2,1-2H3,(H,12,15)
InChIKeyOIRQKLXCHILATP-UHFFFAOYSA-N
XLogP-0.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484734
2-isopentyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484654
2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253327
2-methyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755383
2-ethyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755459
N-(3-Methylbutyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 47004347
N-((1-ethylpyrrolidin-2-yl)methyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
CID 71709367
N-(3-Methoxypropyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465663
N-Cyclohexyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465686
2-(3-Oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)-N-(propan-2-YL)acetamide
CID 75465688
N-Cyclopropyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465729
6-amino-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199715

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide?
The IUPAC name of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide (CID 163837087) is N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide.
What is the SMILES notation for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide?
The canonical SMILES for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide is CC(=O)NC1CCc2nn(C)c(=O)cc2C1.
What is the InChIKey of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide?
The InChIKey is OIRQKLXCHILATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(15)12-9-3-4-10-8(5-9)6-11(16)14(2)13-10/h6,9H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide?
N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide has a molecular weight of 221.26 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide is sourced from PubChem (CID 163837087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).