1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one

C9H10N2O2 — CID 3645068

IUPAC1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one
SMILESCC(=O)N1CCc2c[nH]c(=O)cc21
InChIInChI=1S/C9H10N2O2/c1-6(12)11-3-2-7-5-10-9(13)4-8(7)11/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeySVRDAVIKXFWGKP-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.28
Rot. Bonds

About 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one

1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one (PubChem CID 3645068) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one
PubChem CID3645068
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one
SMILESCC(=O)N1CCc2c[nH]c(=O)cc21
InChIInChI=1S/C9H10N2O2/c1-6(12)11-3-2-7-5-10-9(13)4-8(7)11/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeySVRDAVIKXFWGKP-UHFFFAOYSA-N
XLogP0.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one?
The IUPAC name of 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one (CID 3645068) is 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one.
What is the SMILES notation for 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one?
The canonical SMILES for 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one is CC(=O)N1CCc2c[nH]c(=O)cc21.
What is the InChIKey of 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one?
The InChIKey is SVRDAVIKXFWGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)11-3-2-7-5-10-9(13)4-8(7)11/h4-5H,2-3H2,1H3,(H,10,13).
What are the key properties of 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one?
1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one has a molecular weight of 178.19 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-6-one is sourced from PubChem (CID 3645068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).