1-acetyl-5-amino-3H-indol-2-one

C10H10N2O2 — CID 12046998

IUPAC1-acetyl-5-amino-3H-indol-2-one
SMILESCC(=O)N1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C10H10N2O2/c1-6(13)12-9-3-2-8(11)4-7(9)5-10(12)14/h2-4H,5,11H2,1H3
InChIKeyNFPWJICZQKSALC-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.70
Rot. Bonds

About 1-acetyl-5-amino-3H-indol-2-one

1-acetyl-5-amino-3H-indol-2-one (PubChem CID 12046998) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-acetyl-5-amino-3H-indol-2-one.

Molecular Properties

Compound Name1-acetyl-5-amino-3H-indol-2-one
PubChem CID12046998
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-acetyl-5-amino-3H-indol-2-one
SMILESCC(=O)N1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C10H10N2O2/c1-6(13)12-9-3-2-8(11)4-7(9)5-10(12)14/h2-4H,5,11H2,1H3
InChIKeyNFPWJICZQKSALC-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-amino-3H-indol-2-one?
The IUPAC name of 1-acetyl-5-amino-3H-indol-2-one (CID 12046998) is 1-acetyl-5-amino-3H-indol-2-one.
What is the SMILES notation for 1-acetyl-5-amino-3H-indol-2-one?
The canonical SMILES for 1-acetyl-5-amino-3H-indol-2-one is CC(=O)N1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 1-acetyl-5-amino-3H-indol-2-one?
The InChIKey is NFPWJICZQKSALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(13)12-9-3-2-8(11)4-7(9)5-10(12)14/h2-4H,5,11H2,1H3.
What are the key properties of 1-acetyl-5-amino-3H-indol-2-one?
1-acetyl-5-amino-3H-indol-2-one has a molecular weight of 190.20 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-amino-3H-indol-2-one is sourced from PubChem (CID 12046998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).