(2E)-2-hydroxyiminobutanal

C4H7NO2 — CID 141198378

IUPAC(2E)-2-hydroxyiminobutanal
SMILESCC/C(C=O)=N\O
InChIInChI=1S/C4H7NO2/c1-2-4(3-6)5-7/h3,7H,2H2,1H3/b5-4+
InChIKeyNTIIJDHCSCGSQE-SNAWJCMRSA-N
MW101.10 g/mol
LogP0.43
Rot. Bonds2

About (2E)-2-hydroxyiminobutanal

(2E)-2-hydroxyiminobutanal (PubChem CID 141198378) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (2E)-2-hydroxyiminobutanal.

Molecular Properties

Compound Name(2E)-2-hydroxyiminobutanal
PubChem CID141198378
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(2E)-2-hydroxyiminobutanal
SMILESCC/C(C=O)=N\O
InChIInChI=1S/C4H7NO2/c1-2-4(3-6)5-7/h3,7H,2H2,1H3/b5-4+
InChIKeyNTIIJDHCSCGSQE-SNAWJCMRSA-N
XLogP0.43
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyiminobutanal
CID 159082631
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formamide;N-pentan-3-ylidenehydroxylamine
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methyl (E,4E)-4-hydroxyiminohex-2-enoate
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N,N-dimethylmethanamine;N-pent-1-en-3-ylidenehydroxylamine;silane
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(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine
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N-methylidenehydroxylamine;2-oxobutanal
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ethane;N-ethenylpent-1-en-3-imine
CID 143591103
(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal
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[(Z)-1-oxobut-2-en-2-yl] propanoate
CID 88830427
N-butan-2-ylidenehydroxylamine
CID 7292
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
CID 87646999

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyiminobutanal?
The IUPAC name of (2E)-2-hydroxyiminobutanal (CID 141198378) is (2E)-2-hydroxyiminobutanal.
What is the SMILES notation for (2E)-2-hydroxyiminobutanal?
The canonical SMILES for (2E)-2-hydroxyiminobutanal is CC/C(C=O)=N\O.
What is the InChIKey of (2E)-2-hydroxyiminobutanal?
The InChIKey is NTIIJDHCSCGSQE-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-4(3-6)5-7/h3,7H,2H2,1H3/b5-4+.
What are the key properties of (2E)-2-hydroxyiminobutanal?
(2E)-2-hydroxyiminobutanal has a molecular weight of 101.10 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyiminobutanal is sourced from PubChem (CID 141198378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).