N-(3-hydroxypropylidene)formamide

C4H7NO2 — CID 59877766

IUPACN-(3-hydroxypropylidene)formamide
SMILESO=C/N=C/CCO
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h2,4,6H,1,3H2/b5-2+
InChIKeyLMKUYBSCDQUSQQ-GORDUTHDSA-N
MW101.10 g/mol
LogP-0.40
Rot. Bonds3

About N-(3-hydroxypropylidene)formamide

N-(3-hydroxypropylidene)formamide (PubChem CID 59877766) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-(3-hydroxypropylidene)formamide.

Molecular Properties

Compound NameN-(3-hydroxypropylidene)formamide
PubChem CID59877766
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-(3-hydroxypropylidene)formamide
SMILESO=C/N=C/CCO
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h2,4,6H,1,3H2/b5-2+
InChIKeyLMKUYBSCDQUSQQ-GORDUTHDSA-N
XLogP-0.40
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octylideneformamide
CID 57254317
N-dodecylideneformamide
CID 57101049
3-formyliminopropanoic acid
CID 57222623
N-(2-formyliminoethylidene)formamide
CID 88538309
3-hydroxypropanal;hydrochloride
CID 87570947
1,1-dihydroxy-3-(3-hydroxypropylidene)urea
CID 154128870
1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea
CID 141187058
2-(3-hydroxypropylidene)propanedial
CID 141350211
ethyl N-(3-hydroxypropylidene)carbamate
CID 173139500
acetaldehyde;ethane-1,2-diol
CID 22738127
ethane-1,2-diol;rhenium
CID 175749522
N-but-2-enylideneformamide
CID 57148685

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropylidene)formamide?
The IUPAC name of N-(3-hydroxypropylidene)formamide (CID 59877766) is N-(3-hydroxypropylidene)formamide.
What is the SMILES notation for N-(3-hydroxypropylidene)formamide?
The canonical SMILES for N-(3-hydroxypropylidene)formamide is O=C/N=C/CCO.
What is the InChIKey of N-(3-hydroxypropylidene)formamide?
The InChIKey is LMKUYBSCDQUSQQ-GORDUTHDSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h2,4,6H,1,3H2/b5-2+.
What are the key properties of N-(3-hydroxypropylidene)formamide?
N-(3-hydroxypropylidene)formamide has a molecular weight of 101.10 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropylidene)formamide is sourced from PubChem (CID 59877766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).