N-(1,3-dioxolan-4-yl)formamide

C4H7NO3 — CID 174963484

IUPACN-(1,3-dioxolan-4-yl)formamide
SMILESO=CNC1COCO1
InChIInChI=1S/C4H7NO3/c6-2-5-4-1-7-3-8-4/h2,4H,1,3H2,(H,5,6)
InChIKeyNATKITZXDUJXSG-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.94
Rot. Bonds2

About N-(1,3-dioxolan-4-yl)formamide

N-(1,3-dioxolan-4-yl)formamide (PubChem CID 174963484) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is N-(1,3-dioxolan-4-yl)formamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-4-yl)formamide
PubChem CID174963484
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC NameN-(1,3-dioxolan-4-yl)formamide
SMILESO=CNC1COCO1
InChIInChI=1S/C4H7NO3/c6-2-5-4-1-7-3-8-4/h2,4H,1,3H2,(H,5,6)
InChIKeyNATKITZXDUJXSG-UHFFFAOYSA-N
XLogP-0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxolan-4-yl)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-(1,3-dioxolan-4-yl)formamide?
The IUPAC name of N-(1,3-dioxolan-4-yl)formamide (CID 174963484) is N-(1,3-dioxolan-4-yl)formamide.
What is the SMILES notation for N-(1,3-dioxolan-4-yl)formamide?
The canonical SMILES for N-(1,3-dioxolan-4-yl)formamide is O=CNC1COCO1.
What is the InChIKey of N-(1,3-dioxolan-4-yl)formamide?
The InChIKey is NATKITZXDUJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-2-5-4-1-7-3-8-4/h2,4H,1,3H2,(H,5,6).
What are the key properties of N-(1,3-dioxolan-4-yl)formamide?
N-(1,3-dioxolan-4-yl)formamide has a molecular weight of 117.10 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-4-yl)formamide is sourced from PubChem (CID 174963484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).