5-iminopent-2-en-1-ol

C5H9NO — CID 173012375

IUPAC5-iminopent-2-en-1-ol
SMILES[H]/N=C/CC=CCO
InChIInChI=1S/C5H9NO/c6-4-2-1-3-5-7/h1,3-4,6-7H,2,5H2/b3-1?,6-4+
InChIKeyJYASCBBCPDPLHL-WMBAVETBSA-N
MW99.13 g/mol
LogP0.57
Rot. Bonds3

About 5-iminopent-2-en-1-ol

5-iminopent-2-en-1-ol (PubChem CID 173012375) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5-iminopent-2-en-1-ol.

Molecular Properties

Compound Name5-iminopent-2-en-1-ol
PubChem CID173012375
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5-iminopent-2-en-1-ol
SMILES[H]/N=C/CC=CCO
InChIInChI=1S/C5H9NO/c6-4-2-1-3-5-7/h1,3-4,6-7H,2,5H2/b3-1?,6-4+
InChIKeyJYASCBBCPDPLHL-WMBAVETBSA-N
XLogP0.57
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174284107
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Frequently Asked Questions

What is the IUPAC name of 5-iminopent-2-en-1-ol?
The IUPAC name of 5-iminopent-2-en-1-ol (CID 173012375) is 5-iminopent-2-en-1-ol.
What is the SMILES notation for 5-iminopent-2-en-1-ol?
The canonical SMILES for 5-iminopent-2-en-1-ol is [H]/N=C/CC=CCO.
What is the InChIKey of 5-iminopent-2-en-1-ol?
The InChIKey is JYASCBBCPDPLHL-WMBAVETBSA-N. The full InChI is InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h1,3-4,6-7H,2,5H2/b3-1?,6-4+.
What are the key properties of 5-iminopent-2-en-1-ol?
5-iminopent-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopent-2-en-1-ol is sourced from PubChem (CID 173012375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).