N-ethyl-N-(hydroxymethyl)formamide

C4H9NO2 — CID 13163678

IUPACN-ethyl-N-(hydroxymethyl)formamide
SMILESCCN(C=O)CO
InChIInChI=1S/C4H9NO2/c1-2-5(3-6)4-7/h3,7H,2,4H2,1H3
InChIKeyODINLEQFHWMOPB-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.59
Rot. Bonds3

About N-ethyl-N-(hydroxymethyl)formamide

N-ethyl-N-(hydroxymethyl)formamide (PubChem CID 13163678) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N-ethyl-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(hydroxymethyl)formamide
PubChem CID13163678
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN-ethyl-N-(hydroxymethyl)formamide
SMILESCCN(C=O)CO
InChIInChI=1S/C4H9NO2/c1-2-5(3-6)4-7/h3,7H,2,4H2,1H3
InChIKeyODINLEQFHWMOPB-UHFFFAOYSA-N
XLogP-0.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-N-(hydroxymethyl)formamide?
The IUPAC name of N-ethyl-N-(hydroxymethyl)formamide (CID 13163678) is N-ethyl-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-ethyl-N-(hydroxymethyl)formamide?
The canonical SMILES for N-ethyl-N-(hydroxymethyl)formamide is CCN(C=O)CO.
What is the InChIKey of N-ethyl-N-(hydroxymethyl)formamide?
The InChIKey is ODINLEQFHWMOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-5(3-6)4-7/h3,7H,2,4H2,1H3.
What are the key properties of N-ethyl-N-(hydroxymethyl)formamide?
N-ethyl-N-(hydroxymethyl)formamide has a molecular weight of 103.12 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(hydroxymethyl)formamide is sourced from PubChem (CID 13163678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).