(Z)-2-iminopent-3-enal

C5H7NO — CID 123377450

IUPAC(Z)-2-iminopent-3-enal
SMILES[H]/N=C(C=O)/C=C\C
InChIInChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4,6H,1H3/b3-2-,6-5-
InChIKeyXETVXZDDRUJABU-QFBDUHRLSA-N
MW97.12 g/mol
LogP0.78
Rot. Bonds2

About (Z)-2-iminopent-3-enal

(Z)-2-iminopent-3-enal (PubChem CID 123377450) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (Z)-2-iminopent-3-enal.

Molecular Properties

Compound Name(Z)-2-iminopent-3-enal
PubChem CID123377450
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(Z)-2-iminopent-3-enal
SMILES[H]/N=C(C=O)/C=C\C
InChIInChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4,6H,1H3/b3-2-,6-5-
InChIKeyXETVXZDDRUJABU-QFBDUHRLSA-N
XLogP0.78
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-iminopent-2-enal
CID 143260720
2-Iminobut-3-enal
CID 57158756
(3E)-4-chloro-2-iminohexa-3,5-dienal
CID 89410444
(Z)-2-methyliminopent-3-enal
CID 89534309
(Z)-5-imino-2-methylidenehex-3-enal
CID 142197495
2-Iminopent-3-enal
CID 142606621
(Z)-2-methyliminohex-3-enal
CID 143097523
Ethane;2-iminobut-3-enal
CID 145528304
(Z)-5-oxopent-2-enimidoyl bromide
CID 169570533
2-Imino-4-methylpent-3-enal
CID 143827156
(Z)-2-iminohex-3-enal
CID 177053894
(Z)-4-imino-5-oxopent-2-enimidoyl chloride
CID 177319622

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iminopent-3-enal?
The IUPAC name of (Z)-2-iminopent-3-enal (CID 123377450) is (Z)-2-iminopent-3-enal.
What is the SMILES notation for (Z)-2-iminopent-3-enal?
The canonical SMILES for (Z)-2-iminopent-3-enal is [H]/N=C(C=O)/C=C\C.
What is the InChIKey of (Z)-2-iminopent-3-enal?
The InChIKey is XETVXZDDRUJABU-QFBDUHRLSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4,6H,1H3/b3-2-,6-5-.
What are the key properties of (Z)-2-iminopent-3-enal?
(Z)-2-iminopent-3-enal has a molecular weight of 97.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iminopent-3-enal is sourced from PubChem (CID 123377450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).