5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one

C11H16N4O — CID 115261107

IUPAC5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESNNCNCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H16N4O/c12-14-7-13-4-3-8-1-2-10-9(5-8)6-11(16)15-10/h1-2,5,13-14H,3-4,6-7,12H2,(H,15,16)
InChIKeyXUVAKOYNNOXALX-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.27
Rot. Bonds5

About 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one

5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 115261107) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID115261107
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESNNCNCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H16N4O/c12-14-7-13-4-3-8-1-2-10-9(5-8)6-11(16)15-10/h1-2,5,13-14H,3-4,6-7,12H2,(H,15,16)
InChIKeyXUVAKOYNNOXALX-UHFFFAOYSA-N
XLogP-0.27
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one (CID 115261107) is 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one is NNCNCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is XUVAKOYNNOXALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-14-7-13-4-3-8-1-2-10-9(5-8)6-11(16)15-10/h1-2,5,13-14H,3-4,6-7,12H2,(H,15,16).
What are the key properties of 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one?
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 220.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115261107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).