2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C13H12N2O2 — CID 3962553

IUPAC2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESCC(=O)N1Cc2[nH]c3ccccc3c(=O)c2C1
InChIInChI=1S/C13H12N2O2/c1-8(16)15-6-10-12(7-15)14-11-5-3-2-4-9(11)13(10)17/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyMMURVCBJGCSWBM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.39
Rot. Bonds

About 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 3962553) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID3962553
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESCC(=O)N1Cc2[nH]c3ccccc3c(=O)c2C1
InChIInChI=1S/C13H12N2O2/c1-8(16)15-6-10-12(7-15)14-11-5-3-2-4-9(11)13(10)17/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyMMURVCBJGCSWBM-UHFFFAOYSA-N
XLogP1.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid
CID 175852377
methyl 2-acetyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridine-7-carboxylate
CID 166488527
2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 15321506
2-(2-bromophenyl)-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113089894
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
CID 23113540
N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
CID 130265518
2-[2-oxo-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]benzoic acid
CID 71753330
10H-acridin-9-one;ethane
CID 91525380
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
1-[2,4-dimethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 146123223
10H-acridin-9-one
CID 22753806

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 3962553) is 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is CC(=O)N1Cc2[nH]c3ccccc3c(=O)c2C1.
What is the InChIKey of 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is MMURVCBJGCSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8(16)15-6-10-12(7-15)14-11-5-3-2-4-9(11)13(10)17/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 228.25 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 3962553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).