N'-methanimidoyl-4-oxopentanimidamide

C6H11N3O — CID 143167677

IUPACN'-methanimidoyl-4-oxopentanimidamide
SMILES[H]/N=C/N=C(\N)CCC(C)=O
InChIInChI=1S/C6H11N3O/c1-5(10)2-3-6(8)9-4-7/h4H,2-3H2,1H3,(H3,7,8,9)
InChIKeyJMRFENVUWDSTIQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.32
Rot. Bonds4

About N'-methanimidoyl-4-oxopentanimidamide

N'-methanimidoyl-4-oxopentanimidamide (PubChem CID 143167677) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N'-methanimidoyl-4-oxopentanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-4-oxopentanimidamide
PubChem CID143167677
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN'-methanimidoyl-4-oxopentanimidamide
SMILES[H]/N=C/N=C(\N)CCC(C)=O
InChIInChI=1S/C6H11N3O/c1-5(10)2-3-6(8)9-4-7/h4H,2-3H2,1H3,(H3,7,8,9)
InChIKeyJMRFENVUWDSTIQ-UHFFFAOYSA-N
XLogP0.32
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methanimidoyl-4-oxopentanimidamide 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

N'-(4-oxopentyl)ethanimidamide
CID 59109217
5-Imino-4-oxopentanimidamide
CID 90854021
6-amino-4,5-dihydro-2H-pyridin-3-one
CID 123839100
4-Oxopentanimidamide
CID 139323270
4-Oxohexanimidamide
CID 140992385
Ethane;4-oxopentanimidamide
CID 142322698

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-4-oxopentanimidamide?
The IUPAC name of N'-methanimidoyl-4-oxopentanimidamide (CID 143167677) is N'-methanimidoyl-4-oxopentanimidamide.
What is the SMILES notation for N'-methanimidoyl-4-oxopentanimidamide?
The canonical SMILES for N'-methanimidoyl-4-oxopentanimidamide is [H]/N=C/N=C(\N)CCC(C)=O.
What is the InChIKey of N'-methanimidoyl-4-oxopentanimidamide?
The InChIKey is JMRFENVUWDSTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)2-3-6(8)9-4-7/h4H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of N'-methanimidoyl-4-oxopentanimidamide?
N'-methanimidoyl-4-oxopentanimidamide has a molecular weight of 141.17 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-4-oxopentanimidamide is sourced from PubChem (CID 143167677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).