1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C12H13N3O2 — CID 123656548

IUPAC1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccc(N=O)nc2)CC1
InChIInChI=1S/C12H13N3O2/c1-9(16)15-6-4-10(5-7-15)11-2-3-12(14-17)13-8-11/h2-4,8H,5-7H2,1H3
InChIKeyBGRXRPZCRPLQLI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.12
Rot. Bonds2

About 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 123656548) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID123656548
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccc(N=O)nc2)CC1
InChIInChI=1S/C12H13N3O2/c1-9(16)15-6-4-10(5-7-15)11-2-3-12(14-17)13-8-11/h2-4,8H,5-7H2,1H3
InChIKeyBGRXRPZCRPLQLI-UHFFFAOYSA-N
XLogP2.12
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 173113675
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163383041
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
1-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165380250
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
tert-butyl 4-[6-[hydroxy(methyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123296836
1-[4-[1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 21462981
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
1-[4-(2-tert-butyl-5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158681077
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 161113880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 123656548) is 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2ccc(N=O)nc2)CC1.
What is the InChIKey of 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BGRXRPZCRPLQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9(16)15-6-4-10(5-7-15)11-2-3-12(14-17)13-8-11/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 123656548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).