(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal

C8H12N2O — CID 138629171

IUPAC(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal
SMILESC=CNC(/C=C\NC)=C/C=O
InChIInChI=1S/C8H12N2O/c1-3-10-8(5-7-11)4-6-9-2/h3-7,9-10H,1H2,2H3/b6-4-,8-5+
InChIKeyGTLFRHUWLLYUNF-QXMOYCCXSA-N
MW152.20 g/mol
LogP0.54
Rot. Bonds5

About (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal

(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal (PubChem CID 138629171) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal
PubChem CID138629171
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal
SMILESC=CNC(/C=C\NC)=C/C=O
InChIInChI=1S/C8H12N2O/c1-3-10-8(5-7-11)4-6-9-2/h3-7,9-10H,1H2,2H3/b6-4-,8-5+
InChIKeyGTLFRHUWLLYUNF-QXMOYCCXSA-N
XLogP0.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.54
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6E)-7-(methylamino)hepta-2,4,6-trienal
CID 20734746
N-[(2Z,8Z)-1-oxodeca-2,4,6,8-tetraen-5-yl]formamide
CID 53815399
7-(Methylamino)hepta-2,4,6-trienal
CID 54554315
Methyl(7-oxohepta-1,3,5-trienyl)azanium
CID 59100667
(Z)-2-amino-3-(ethenylamino)but-2-enal
CID 88933548
(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal
CID 89043945
(2E,4E)-4-amino-5-(methylamino)penta-2,4-dienal
CID 89112575
(2E,4Z)-5-[2-hydroxyethyl(methyl)amino]-3-(methylamino)penta-2,4-dienal
CID 126636374
(2Z,4Z)-5-(methylamino)hexa-2,4-dienal
CID 134517048
(2Z)-2-amino-3-(methylamino)penta-2,4-dienal
CID 135266619
(2Z,4Z)-5-(ethylamino)penta-2,4-dienal
CID 138644250
(2E,4Z)-2-amino-5-(methylamino)penta-2,4-dienal
CID 142523674

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal?
The IUPAC name of (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal (CID 138629171) is (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal.
What is the SMILES notation for (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal?
The canonical SMILES for (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal is C=CNC(/C=C\NC)=C/C=O.
What is the InChIKey of (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal?
The InChIKey is GTLFRHUWLLYUNF-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-10-8(5-7-11)4-6-9-2/h3-7,9-10H,1H2,2H3/b6-4-,8-5+.
What are the key properties of (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal?
(2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal has a molecular weight of 152.20 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(ethenylamino)-5-(methylamino)penta-2,4-dienal is sourced from PubChem (CID 138629171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).