5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one

C13H15N3O2 — CID 14183252

IUPAC5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one
SMILESCC(=O)N1CC(C)(C)c2cc3[nH]c(=O)[nH]c3cc21
InChIInChI=1S/C13H15N3O2/c1-7(17)16-6-13(2,3)8-4-9-10(5-11(8)16)15-12(18)14-9/h4-5H,6H2,1-3H3,(H2,14,15,18)
InChIKeyZBHVRWGKXNLVIA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.50
Rot. Bonds

About 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one

5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one (PubChem CID 14183252) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one.

Molecular Properties

Compound Name5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one
PubChem CID14183252
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one
SMILESCC(=O)N1CC(C)(C)c2cc3[nH]c(=O)[nH]c3cc21
InChIInChI=1S/C13H15N3O2/c1-7(17)16-6-13(2,3)8-4-9-10(5-11(8)16)15-12(18)14-9/h4-5H,6H2,1-3H3,(H2,14,15,18)
InChIKeyZBHVRWGKXNLVIA-UHFFFAOYSA-N
XLogP1.50
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one?
The IUPAC name of 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one (CID 14183252) is 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one.
What is the SMILES notation for 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one?
The canonical SMILES for 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one is CC(=O)N1CC(C)(C)c2cc3[nH]c(=O)[nH]c3cc21.
What is the InChIKey of 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one?
The InChIKey is ZBHVRWGKXNLVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7(17)16-6-13(2,3)8-4-9-10(5-11(8)16)15-12(18)14-9/h4-5H,6H2,1-3H3,(H2,14,15,18).
What are the key properties of 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one?
5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-7,7-dimethyl-3,6-dihydro-1H-pyrrolo[2,3-f]benzimidazol-2-one is sourced from PubChem (CID 14183252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).