2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde

C8H13NO — CID 59886714

IUPAC2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde
SMILESC/C=C/C(C)C/N=C/C=O
InChIInChI=1S/C8H13NO/c1-3-4-8(2)7-9-5-6-10/h3-6,8H,7H2,1-2H3/b4-3+,9-5+
InChIKeyUCVHFTVICAUWSY-PRKJJMSOSA-N
MW139.20 g/mol
LogP1.47
Rot. Bonds4

About 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde

2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde (PubChem CID 59886714) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde.

Molecular Properties

Compound Name2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde
PubChem CID59886714
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde
SMILESC/C=C/C(C)C/N=C/C=O
InChIInChI=1S/C8H13NO/c1-3-4-8(2)7-9-5-6-10/h3-6,8H,7H2,1-2H3/b4-3+,9-5+
InChIKeyUCVHFTVICAUWSY-PRKJJMSOSA-N
XLogP1.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.47
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde?
The IUPAC name of 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde (CID 59886714) is 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde.
What is the SMILES notation for 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde?
The canonical SMILES for 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde is C/C=C/C(C)C/N=C/C=O.
What is the InChIKey of 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde?
The InChIKey is UCVHFTVICAUWSY-PRKJJMSOSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-8(2)7-9-5-6-10/h3-6,8H,7H2,1-2H3/b4-3+,9-5+.
What are the key properties of 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde?
2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde has a molecular weight of 139.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde is sourced from PubChem (CID 59886714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).