(E)-2-(methyliminomethyl)pent-2-en-1-ol

C7H13NO — CID 89029220

IUPAC(E)-2-(methyliminomethyl)pent-2-en-1-ol
SMILESCC/C=C(\C=N\C)CO
InChIInChI=1S/C7H13NO/c1-3-4-7(6-9)5-8-2/h4-5,9H,3,6H2,1-2H3/b7-4+,8-5+
InChIKeyYEPSWKZXHXLVMA-NSLJXJERSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds3

About (E)-2-(methyliminomethyl)pent-2-en-1-ol

(E)-2-(methyliminomethyl)pent-2-en-1-ol (PubChem CID 89029220) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-2-(methyliminomethyl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(methyliminomethyl)pent-2-en-1-ol
PubChem CID89029220
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-2-(methyliminomethyl)pent-2-en-1-ol
SMILESCC/C=C(\C=N\C)CO
InChIInChI=1S/C7H13NO/c1-3-4-7(6-9)5-8-2/h4-5,9H,3,6H2,1-2H3/b7-4+,8-5+
InChIKeyYEPSWKZXHXLVMA-NSLJXJERSA-N
XLogP1.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
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)-2-(methyliminomethyl)pent-2-en-1-ol?
The IUPAC name of (E)-2-(methyliminomethyl)pent-2-en-1-ol (CID 89029220) is (E)-2-(methyliminomethyl)pent-2-en-1-ol.
What is the SMILES notation for (E)-2-(methyliminomethyl)pent-2-en-1-ol?
The canonical SMILES for (E)-2-(methyliminomethyl)pent-2-en-1-ol is CC/C=C(\C=N\C)CO.
What is the InChIKey of (E)-2-(methyliminomethyl)pent-2-en-1-ol?
The InChIKey is YEPSWKZXHXLVMA-NSLJXJERSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-7(6-9)5-8-2/h4-5,9H,3,6H2,1-2H3/b7-4+,8-5+.
What are the key properties of (E)-2-(methyliminomethyl)pent-2-en-1-ol?
(E)-2-(methyliminomethyl)pent-2-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methyliminomethyl)pent-2-en-1-ol is sourced from PubChem (CID 89029220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).