3-iminopenta-1,4-dien-2-ol

C5H7NO — CID 173271754

IUPAC3-iminopenta-1,4-dien-2-ol
SMILES[H]/N=C(\C=C)C(=C)O
InChIInChI=1S/C5H7NO/c1-3-5(6)4(2)7/h3,6-7H,1-2H2/b6-5+
InChIKeyODEABDRAEDOSRW-AATRIKPKSA-N
MW97.12 g/mol
LogP1.26
Rot. Bonds2

About 3-iminopenta-1,4-dien-2-ol

3-iminopenta-1,4-dien-2-ol (PubChem CID 173271754) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-iminopenta-1,4-dien-2-ol.

Molecular Properties

Compound Name3-iminopenta-1,4-dien-2-ol
PubChem CID173271754
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-iminopenta-1,4-dien-2-ol
SMILES[H]/N=C(\C=C)C(=C)O
InChIInChI=1S/C5H7NO/c1-3-5(6)4(2)7/h3,6-7H,1-2H2/b6-5+
InChIKeyODEABDRAEDOSRW-AATRIKPKSA-N
XLogP1.26
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iminopenta-1,4-dien-2-ol?
The IUPAC name of 3-iminopenta-1,4-dien-2-ol (CID 173271754) is 3-iminopenta-1,4-dien-2-ol.
What is the SMILES notation for 3-iminopenta-1,4-dien-2-ol?
The canonical SMILES for 3-iminopenta-1,4-dien-2-ol is [H]/N=C(\C=C)C(=C)O.
What is the InChIKey of 3-iminopenta-1,4-dien-2-ol?
The InChIKey is ODEABDRAEDOSRW-AATRIKPKSA-N. The full InChI is InChI=1S/C5H7NO/c1-3-5(6)4(2)7/h3,6-7H,1-2H2/b6-5+.
What are the key properties of 3-iminopenta-1,4-dien-2-ol?
3-iminopenta-1,4-dien-2-ol has a molecular weight of 97.12 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopenta-1,4-dien-2-ol is sourced from PubChem (CID 173271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).