(E)-5-imino-3-methylpent-3-en-1-ol

C6H11NO — CID 91470822

IUPAC(E)-5-imino-3-methylpent-3-en-1-ol
SMILES[H]/N=C/C=C(\C)CCO
InChIInChI=1S/C6H11NO/c1-6(2-4-7)3-5-8/h2,4,7-8H,3,5H2,1H3/b6-2+,7-4+
InChIKeyMDTXQWUGPQYBOS-DDEVBNQJSA-N
MW113.16 g/mol
LogP0.96
Rot. Bonds3

About (E)-5-imino-3-methylpent-3-en-1-ol

(E)-5-imino-3-methylpent-3-en-1-ol (PubChem CID 91470822) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-5-imino-3-methylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-imino-3-methylpent-3-en-1-ol
PubChem CID91470822
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-5-imino-3-methylpent-3-en-1-ol
SMILES[H]/N=C/C=C(\C)CCO
InChIInChI=1S/C6H11NO/c1-6(2-4-7)3-5-8/h2,4,7-8H,3,5H2,1H3/b6-2+,7-4+
InChIKeyMDTXQWUGPQYBOS-DDEVBNQJSA-N
XLogP0.96
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-imino-3-methylpent-3-en-1-ol?
The IUPAC name of (E)-5-imino-3-methylpent-3-en-1-ol (CID 91470822) is (E)-5-imino-3-methylpent-3-en-1-ol.
What is the SMILES notation for (E)-5-imino-3-methylpent-3-en-1-ol?
The canonical SMILES for (E)-5-imino-3-methylpent-3-en-1-ol is [H]/N=C/C=C(\C)CCO.
What is the InChIKey of (E)-5-imino-3-methylpent-3-en-1-ol?
The InChIKey is MDTXQWUGPQYBOS-DDEVBNQJSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2-4-7)3-5-8/h2,4,7-8H,3,5H2,1H3/b6-2+,7-4+.
What are the key properties of (E)-5-imino-3-methylpent-3-en-1-ol?
(E)-5-imino-3-methylpent-3-en-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-imino-3-methylpent-3-en-1-ol is sourced from PubChem (CID 91470822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).