2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide

C8H11N3O3 — CID 64830040

IUPAC2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)C2CC2C1=O
InChIInChI=1S/C8H11N3O3/c1-3(6(12)10-9)11-7(13)4-2-5(4)8(11)14/h3-5H,2,9H2,1H3,(H,10,12)
InChIKeyYPCGUDCKHLECLN-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.63
Rot. Bonds2

About 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide

2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide (PubChem CID 64830040) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide
PubChem CID64830040
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)C2CC2C1=O
InChIInChI=1S/C8H11N3O3/c1-3(6(12)10-9)11-7(13)4-2-5(4)8(11)14/h3-5H,2,9H2,1H3,(H,10,12)
InChIKeyYPCGUDCKHLECLN-UHFFFAOYSA-N
XLogP-1.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-ethoxypropanamide
CID 98378438
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide
CID 63770170
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid
CID 7007237
[1-(cyclopentylamino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55935837
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1-adamantylmethyl)propanamide
CID 8927616
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 6581467
3-but-3-yn-2-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114419200
N-(4-chlorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 86932275
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-bromophenyl)propanamide
CID 7610266
N-(4-bromophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 112783852

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide?
The IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide (CID 64830040) is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide.
What is the SMILES notation for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide?
The canonical SMILES for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide is CC(C(=O)NN)N1C(=O)C2CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide?
The InChIKey is YPCGUDCKHLECLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3(6(12)10-9)11-7(13)4-2-5(4)8(11)14/h3-5H,2,9H2,1H3,(H,10,12).
What are the key properties of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide?
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide has a molecular weight of 197.19 g/mol, XLogP of -1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanehydrazide is sourced from PubChem (CID 64830040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).