N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide

C4H9NO3 — CID 57279662

IUPACN-(1-hydroxyethyl)-N-(hydroxymethyl)formamide
SMILESCC(O)N(C=O)CO
InChIInChI=1S/C4H9NO3/c1-4(8)5(2-6)3-7/h2,4,7-8H,3H2,1H3
InChIKeyYDZMBJDIOKIMOT-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.27
Rot. Bonds3

About N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide

N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide (PubChem CID 57279662) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-(hydroxymethyl)formamide
PubChem CID57279662
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC NameN-(1-hydroxyethyl)-N-(hydroxymethyl)formamide
SMILESCC(O)N(C=O)CO
InChIInChI=1S/C4H9NO3/c1-4(8)5(2-6)3-7/h2,4,7-8H,3H2,1H3
InChIKeyYDZMBJDIOKIMOT-UHFFFAOYSA-N
XLogP-1.27
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide?
The IUPAC name of N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide (CID 57279662) is N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide is CC(O)N(C=O)CO.
What is the InChIKey of N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide?
The InChIKey is YDZMBJDIOKIMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-4(8)5(2-6)3-7/h2,4,7-8H,3H2,1H3.
What are the key properties of N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide?
N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide has a molecular weight of 119.12 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide is sourced from PubChem (CID 57279662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).