(Z)-2,3-bis(methylideneamino)prop-2-enal

C5H6N2O — CID 143336149

IUPAC(Z)-2,3-bis(methylideneamino)prop-2-enal
SMILESC=N/C=C(/C=O)N=C
InChIInChI=1S/C5H6N2O/c1-6-3-5(4-8)7-2/h3-4H,1-2H2/b5-3-
InChIKeyFUEMPTZDOCQHOA-HYXAFXHYSA-N
MW110.12 g/mol
LogP0.43
Rot. Bonds3

About (Z)-2,3-bis(methylideneamino)prop-2-enal

(Z)-2,3-bis(methylideneamino)prop-2-enal (PubChem CID 143336149) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is (Z)-2,3-bis(methylideneamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2,3-bis(methylideneamino)prop-2-enal
PubChem CID143336149
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name(Z)-2,3-bis(methylideneamino)prop-2-enal
SMILESC=N/C=C(/C=O)N=C
InChIInChI=1S/C5H6N2O/c1-6-3-5(4-8)7-2/h3-4H,1-2H2/b5-3-
InChIKeyFUEMPTZDOCQHOA-HYXAFXHYSA-N
XLogP0.43
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6H-1,4-diazepine-2-carbaldehyde
CID 54175443
3-(Methylideneamino)prop-2-enal
CID 85731591
(E)-3-(methylideneamino)prop-2-enal
CID 142522926
(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane
CID 143336148
(Z)-2-(ethylideneamino)-3-(methylideneamino)prop-2-enal
CID 164150880

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(methylideneamino)prop-2-enal?
The IUPAC name of (Z)-2,3-bis(methylideneamino)prop-2-enal (CID 143336149) is (Z)-2,3-bis(methylideneamino)prop-2-enal.
What is the SMILES notation for (Z)-2,3-bis(methylideneamino)prop-2-enal?
The canonical SMILES for (Z)-2,3-bis(methylideneamino)prop-2-enal is C=N/C=C(/C=O)N=C.
What is the InChIKey of (Z)-2,3-bis(methylideneamino)prop-2-enal?
The InChIKey is FUEMPTZDOCQHOA-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-6-3-5(4-8)7-2/h3-4H,1-2H2/b5-3-.
What are the key properties of (Z)-2,3-bis(methylideneamino)prop-2-enal?
(Z)-2,3-bis(methylideneamino)prop-2-enal has a molecular weight of 110.12 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(methylideneamino)prop-2-enal is sourced from PubChem (CID 143336149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).