(Z)-3-(ethenylideneamino)prop-2-enal

C5H5NO — CID 101375578

IUPAC(Z)-3-(ethenylideneamino)prop-2-enal
SMILESC=C=N/C=C\C=O
InChIInChI=1S/C5H5NO/c1-2-6-4-3-5-7/h3-5H,1H2/b4-3-
InChIKeyYAFYMRSUOILDKS-ARJAWSKDSA-N
MW95.10 g/mol
LogP0.55
Rot. Bonds2

About (Z)-3-(ethenylideneamino)prop-2-enal

(Z)-3-(ethenylideneamino)prop-2-enal (PubChem CID 101375578) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is (Z)-3-(ethenylideneamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(ethenylideneamino)prop-2-enal
PubChem CID101375578
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name(Z)-3-(ethenylideneamino)prop-2-enal
SMILESC=C=N/C=C\C=O
InChIInChI=1S/C5H5NO/c1-2-6-4-3-5-7/h3-5H,1H2/b4-3-
InChIKeyYAFYMRSUOILDKS-ARJAWSKDSA-N
XLogP0.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(prop-2-ynylideneamino)prop-2-enal
CID 131236791
but-2-enedial;copper
CID 174314977
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
(E)-3-(2-methyliminoethylideneamino)prop-2-enal
CID 143208002
CID 101053868
CID 101053868
(E)-3-(ethenylamino)prop-2-enal
CID 163992094
CID 136693151
CID 136693151
but-2-enal;hydron
CID 174715160
ethenethione;formic acid
CID 175527394
but-2-enal;chromium
CID 174881364
5-oxopent-3-enenitrile
CID 57304287
(Z)-non-2-en-6,8-diynal
CID 131234800

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethenylideneamino)prop-2-enal?
The IUPAC name of (Z)-3-(ethenylideneamino)prop-2-enal (CID 101375578) is (Z)-3-(ethenylideneamino)prop-2-enal.
What is the SMILES notation for (Z)-3-(ethenylideneamino)prop-2-enal?
The canonical SMILES for (Z)-3-(ethenylideneamino)prop-2-enal is C=C=N/C=C\C=O.
What is the InChIKey of (Z)-3-(ethenylideneamino)prop-2-enal?
The InChIKey is YAFYMRSUOILDKS-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H5NO/c1-2-6-4-3-5-7/h3-5H,1H2/b4-3-.
What are the key properties of (Z)-3-(ethenylideneamino)prop-2-enal?
(Z)-3-(ethenylideneamino)prop-2-enal has a molecular weight of 95.10 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethenylideneamino)prop-2-enal is sourced from PubChem (CID 101375578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).