2-[(hydroxyamino)methyl]prop-2-enal

C4H7NO2 — CID 123902015

IUPAC2-[(hydroxyamino)methyl]prop-2-enal
SMILESC=C(C=O)CNO
InChIInChI=1S/C4H7NO2/c1-4(3-6)2-5-7/h3,5,7H,1-2H2
InChIKeyMLYRVIZREBUUPN-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.28
Rot. Bonds3

About 2-[(hydroxyamino)methyl]prop-2-enal

2-[(hydroxyamino)methyl]prop-2-enal (PubChem CID 123902015) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 2-[(hydroxyamino)methyl]prop-2-enal.

Molecular Properties

Compound Name2-[(hydroxyamino)methyl]prop-2-enal
PubChem CID123902015
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name2-[(hydroxyamino)methyl]prop-2-enal
SMILESC=C(C=O)CNO
InChIInChI=1S/C4H7NO2/c1-4(3-6)2-5-7/h3,5,7H,1-2H2
InChIKeyMLYRVIZREBUUPN-UHFFFAOYSA-N
XLogP-0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methylaminomethyl)prop-2-enal
CID 154323639
4-formylpent-4-enoic acid
CID 55298799
2-formylprop-2-enyl hypofluorite
CID 145275919
5-fluoro-2-methylidenepentanal
CID 156714911
2-formylprop-2-enyl propanoate
CID 86109150
N-(2-hydroxyprop-2-enyl)formamide
CID 87223348
4-formylpent-4-enenitrile
CID 11083851
6-amino-2-methylidenehexanal
CID 173144612
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]methyl]prop-2-enal
CID 174097636
N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
2-(propoxymethyl)prop-2-enal
CID 130805109
3-formyl-N-phenylbut-3-enamide
CID 12974966

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)methyl]prop-2-enal?
The IUPAC name of 2-[(hydroxyamino)methyl]prop-2-enal (CID 123902015) is 2-[(hydroxyamino)methyl]prop-2-enal.
What is the SMILES notation for 2-[(hydroxyamino)methyl]prop-2-enal?
The canonical SMILES for 2-[(hydroxyamino)methyl]prop-2-enal is C=C(C=O)CNO.
What is the InChIKey of 2-[(hydroxyamino)methyl]prop-2-enal?
The InChIKey is MLYRVIZREBUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-4(3-6)2-5-7/h3,5,7H,1-2H2.
What are the key properties of 2-[(hydroxyamino)methyl]prop-2-enal?
2-[(hydroxyamino)methyl]prop-2-enal has a molecular weight of 101.10 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)methyl]prop-2-enal is sourced from PubChem (CID 123902015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).