(2E)-1-methyliminopenta-2,4-dien-2-ol

C6H9NO — CID 88877966

IUPAC(2E)-1-methyliminopenta-2,4-dien-2-ol
SMILESC=C/C=C(O)\C=N\C
InChIInChI=1S/C6H9NO/c1-3-4-6(8)5-7-2/h3-5,8H,1H2,2H3/b6-4+,7-5+
InChIKeyJNURVUGYTACBNK-YDFGWWAZSA-N
MW111.14 g/mol
LogP1.31
Rot. Bonds2

About (2E)-1-methyliminopenta-2,4-dien-2-ol

(2E)-1-methyliminopenta-2,4-dien-2-ol (PubChem CID 88877966) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2E)-1-methyliminopenta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E)-1-methyliminopenta-2,4-dien-2-ol
PubChem CID88877966
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2E)-1-methyliminopenta-2,4-dien-2-ol
SMILESC=C/C=C(O)\C=N\C
InChIInChI=1S/C6H9NO/c1-3-4-6(8)5-7-2/h3-5,8H,1H2,2H3/b6-4+,7-5+
InChIKeyJNURVUGYTACBNK-YDFGWWAZSA-N
XLogP1.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.31
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyliminopenta-2,4-dien-2-ol?
The IUPAC name of (2E)-1-methyliminopenta-2,4-dien-2-ol (CID 88877966) is (2E)-1-methyliminopenta-2,4-dien-2-ol.
What is the SMILES notation for (2E)-1-methyliminopenta-2,4-dien-2-ol?
The canonical SMILES for (2E)-1-methyliminopenta-2,4-dien-2-ol is C=C/C=C(O)\C=N\C.
What is the InChIKey of (2E)-1-methyliminopenta-2,4-dien-2-ol?
The InChIKey is JNURVUGYTACBNK-YDFGWWAZSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-6(8)5-7-2/h3-5,8H,1H2,2H3/b6-4+,7-5+.
What are the key properties of (2E)-1-methyliminopenta-2,4-dien-2-ol?
(2E)-1-methyliminopenta-2,4-dien-2-ol has a molecular weight of 111.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyliminopenta-2,4-dien-2-ol is sourced from PubChem (CID 88877966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).