3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide

C12H16N4O2 — CID 116848766

IUPAC3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
SMILESCN1C(=O)Cc2cc(C(N)CC(=O)NN)ccc21
InChIInChI=1S/C12H16N4O2/c1-16-10-3-2-7(4-8(10)5-12(16)18)9(13)6-11(17)15-14/h2-4,9H,5-6,13-14H2,1H3,(H,15,17)
InChIKeyQUUMVMKASLXQRN-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.41
Rot. Bonds3

About 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide

3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide (PubChem CID 116848766) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
PubChem CID116848766
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
SMILESCN1C(=O)Cc2cc(C(N)CC(=O)NN)ccc21
InChIInChI=1S/C12H16N4O2/c1-16-10-3-2-7(4-8(10)5-12(16)18)9(13)6-11(17)15-14/h2-4,9H,5-6,13-14H2,1H3,(H,15,17)
InChIKeyQUUMVMKASLXQRN-UHFFFAOYSA-N
XLogP-0.41
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
The IUPAC name of 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide (CID 116848766) is 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
The canonical SMILES for 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide is CN1C(=O)Cc2cc(C(N)CC(=O)NN)ccc21.
What is the InChIKey of 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
The InChIKey is QUUMVMKASLXQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-10-3-2-7(4-8(10)5-12(16)18)9(13)6-11(17)15-14/h2-4,9H,5-6,13-14H2,1H3,(H,15,17).
What are the key properties of 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide?
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide has a molecular weight of 248.29 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide is sourced from PubChem (CID 116848766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).