(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal

C7H12N2O — CID 163240969

IUPAC(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal
SMILESCN(C)/C=C\C(N)=C/C=O
InChIInChI=1S/C7H12N2O/c1-9(2)5-3-7(8)4-6-10/h3-6H,8H2,1-2H3/b5-3-,7-4+
InChIKeyZXEHPWZROYLIPY-XKSOLRDRSA-N
MW140.19 g/mol
LogP0.10
Rot. Bonds3

About (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal

(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal (PubChem CID 163240969) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal
PubChem CID163240969
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal
SMILESCN(C)/C=C\C(N)=C/C=O
InChIInChI=1S/C7H12N2O/c1-9(2)5-3-7(8)4-6-10/h3-6H,8H2,1-2H3/b5-3-,7-4+
InChIKeyZXEHPWZROYLIPY-XKSOLRDRSA-N
XLogP0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal?
The IUPAC name of (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal (CID 163240969) is (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal.
What is the SMILES notation for (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal?
The canonical SMILES for (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal is CN(C)/C=C\C(N)=C/C=O.
What is the InChIKey of (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal?
The InChIKey is ZXEHPWZROYLIPY-XKSOLRDRSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9(2)5-3-7(8)4-6-10/h3-6H,8H2,1-2H3/b5-3-,7-4+.
What are the key properties of (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal?
(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal has a molecular weight of 140.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal is sourced from PubChem (CID 163240969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).