(2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal

C8H11NO — CID 88929154

IUPAC(2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal
SMILESC=C(C)/C=C(C=O)\C=C/N
InChIInChI=1S/C8H11NO/c1-7(2)5-8(6-10)3-4-9/h3-6H,1,9H2,2H3/b4-3-,8-5+
InChIKeyYCVYAVOTXPVWFW-HMRFFJRGSA-N
MW137.18 g/mol
LogP1.16
Rot. Bonds3

About (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal

(2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal (PubChem CID 88929154) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal
PubChem CID88929154
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal
SMILESC=C(C)/C=C(C=O)\C=C/N
InChIInChI=1S/C8H11NO/c1-7(2)5-8(6-10)3-4-9/h3-6H,1,9H2,2H3/b4-3-,8-5+
InChIKeyYCVYAVOTXPVWFW-HMRFFJRGSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal?
The IUPAC name of (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal (CID 88929154) is (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal.
What is the SMILES notation for (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal?
The canonical SMILES for (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal is C=C(C)/C=C(C=O)\C=C/N.
What is the InChIKey of (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal?
The InChIKey is YCVYAVOTXPVWFW-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(2)5-8(6-10)3-4-9/h3-6H,1,9H2,2H3/b4-3-,8-5+.
What are the key properties of (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal?
(2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal has a molecular weight of 137.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-aminoethenyl]-4-methylpenta-2,4-dienal is sourced from PubChem (CID 88929154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).