2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide

C10H18N4O2 — CID 103198404

IUPAC2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCCC2C(=O)NCC21
InChIInChI=1S/C10H18N4O2/c1-6(9(15)13-11)14-4-2-3-7-8(14)5-12-10(7)16/h6-8H,2-5,11H2,1H3,(H,12,16)(H,13,15)
InChIKeyLJRJZLHAXWRVKC-UHFFFAOYSA-N
MW226.28 g/mol
LogP-1.42
Rot. Bonds2

About 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide

2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide (PubChem CID 103198404) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide
PubChem CID103198404
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCCC2C(=O)NCC21
InChIInChI=1S/C10H18N4O2/c1-6(9(15)13-11)14-4-2-3-7-8(14)5-12-10(7)16/h6-8H,2-5,11H2,1H3,(H,12,16)(H,13,15)
InChIKeyLJRJZLHAXWRVKC-UHFFFAOYSA-N
XLogP-1.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-1.42
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'}

Analyze 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanoate
CID 103196641
2-cyclopropyl-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetic acid
CID 103196646
1-[(2R)-2-amino-3-methylbutanoyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195377
1-[2-amino-1-(4-fluorophenyl)propyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194861
5-oxo-N'-propan-2-yl-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboximidamide
CID 103196495
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
1-(2-aminopropyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196213
1-(3-amino-4-methylpentanoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195388
1-[2-amino-1-(2-chlorophenyl)propyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194875
1-(2-oxopropyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196944
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79546445
1-[2-amino-1-(3-fluorophenyl)propyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194771

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide?
The IUPAC name of 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide (CID 103198404) is 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide?
The canonical SMILES for 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide is CC(C(=O)NN)N1CCCC2C(=O)NCC21.
What is the InChIKey of 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide?
The InChIKey is LJRJZLHAXWRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(9(15)13-11)14-4-2-3-7-8(14)5-12-10(7)16/h6-8H,2-5,11H2,1H3,(H,12,16)(H,13,15).
What are the key properties of 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide?
2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide has a molecular weight of 226.28 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)propanehydrazide is sourced from PubChem (CID 103198404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).