N-(3-cyano-1-formamidopropyl)formamide

C6H9N3O2 — CID 57216094

IUPACN-(3-cyano-1-formamidopropyl)formamide
SMILESN#CCCC(NC=O)NC=O
InChIInChI=1S/C6H9N3O2/c7-3-1-2-6(8-4-10)9-5-11/h4-6H,1-2H2,(H,8,10)(H,9,11)
InChIKeyXWSWPLHFCOTTLW-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.89
Rot. Bonds6

About N-(3-cyano-1-formamidopropyl)formamide

N-(3-cyano-1-formamidopropyl)formamide (PubChem CID 57216094) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(3-cyano-1-formamidopropyl)formamide.

Molecular Properties

Compound NameN-(3-cyano-1-formamidopropyl)formamide
PubChem CID57216094
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(3-cyano-1-formamidopropyl)formamide
SMILESN#CCCC(NC=O)NC=O
InChIInChI=1S/C6H9N3O2/c7-3-1-2-6(8-4-10)9-5-11/h4-6H,1-2H2,(H,8,10)(H,9,11)
InChIKeyXWSWPLHFCOTTLW-UHFFFAOYSA-N
XLogP-0.89
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(3-cyano-1-formamidopropyl)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-formamidopropyl)formamide?
The IUPAC name of N-(3-cyano-1-formamidopropyl)formamide (CID 57216094) is N-(3-cyano-1-formamidopropyl)formamide.
What is the SMILES notation for N-(3-cyano-1-formamidopropyl)formamide?
The canonical SMILES for N-(3-cyano-1-formamidopropyl)formamide is N#CCCC(NC=O)NC=O.
What is the InChIKey of N-(3-cyano-1-formamidopropyl)formamide?
The InChIKey is XWSWPLHFCOTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-3-1-2-6(8-4-10)9-5-11/h4-6H,1-2H2,(H,8,10)(H,9,11).
What are the key properties of N-(3-cyano-1-formamidopropyl)formamide?
N-(3-cyano-1-formamidopropyl)formamide has a molecular weight of 155.16 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-formamidopropyl)formamide is sourced from PubChem (CID 57216094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).