2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal

C8H11NO2 — CID 166937680

IUPAC2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal
SMILESC=C/C(C=O)=N\C(=C/C)CO
InChIInChI=1S/C8H11NO2/c1-3-7(5-10)9-8(4-2)6-11/h3-5,11H,1,6H2,2H3/b8-4-,9-7+
InChIKeyOASNAYBWOQDHHH-FBFSCSHHSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds4

About 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal

2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal (PubChem CID 166937680) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal.

Molecular Properties

Compound Name2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal
PubChem CID166937680
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal
SMILESC=C/C(C=O)=N\C(=C/C)CO
InChIInChI=1S/C8H11NO2/c1-3-7(5-10)9-8(4-2)6-11/h3-5,11H,1,6H2,2H3/b8-4-,9-7+
InChIKeyOASNAYBWOQDHHH-FBFSCSHHSA-N
XLogP0.71
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
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'}

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Related Compounds

2-(methylideneamino)but-2-en-1-ol
CID 123260913
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670
2-(hydroxymethyl)but-2-enal
CID 54024247
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
1-ethyl-3-[(4Z)-hexa-1,4-dien-3-ylidene]urea
CID 123564108
acetaldehyde;ethane-1,2-diol
CID 22738127
acetaldehyde;1-hydroxypropan-2-one
CID 159001588
CID 76549260
CID 76549260
(E)-2-[(E)-1,3-dichloroprop-1-enyl]iminopent-3-enal
CID 163964753
(2E)-2-ethylidene-3-methylidenepent-4-enal
CID 123838343
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
CID 143712390

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal?
The IUPAC name of 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal (CID 166937680) is 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal.
What is the SMILES notation for 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal?
The canonical SMILES for 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal is C=C/C(C=O)=N\C(=C/C)CO.
What is the InChIKey of 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal?
The InChIKey is OASNAYBWOQDHHH-FBFSCSHHSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7(5-10)9-8(4-2)6-11/h3-5,11H,1,6H2,2H3/b8-4-,9-7+.
What are the key properties of 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal?
2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal has a molecular weight of 153.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-hydroxybut-2-en-2-yl]iminobut-3-enal is sourced from PubChem (CID 166937680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).