(E)-4-methyliminohex-2-en-3-ol

C7H13NO — CID 143063242

IUPAC(E)-4-methyliminohex-2-en-3-ol
SMILESC/C=C(O)\C(CC)=N\C
InChIInChI=1S/C7H13NO/c1-4-6(8-3)7(9)5-2/h5,9H,4H2,1-3H3/b7-5+,8-6+
InChIKeyBCXBHWYQEBJMAI-KQQUZDAGSA-N
MW127.19 g/mol
LogP1.93
Rot. Bonds2

About (E)-4-methyliminohex-2-en-3-ol

(E)-4-methyliminohex-2-en-3-ol (PubChem CID 143063242) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-4-methyliminohex-2-en-3-ol.

Molecular Properties

Compound Name(E)-4-methyliminohex-2-en-3-ol
PubChem CID143063242
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-4-methyliminohex-2-en-3-ol
SMILESC/C=C(O)\C(CC)=N\C
InChIInChI=1S/C7H13NO/c1-4-6(8-3)7(9)5-2/h5,9H,4H2,1-3H3/b7-5+,8-6+
InChIKeyBCXBHWYQEBJMAI-KQQUZDAGSA-N
XLogP1.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.93
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'}

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Related Compounds

6-Methyl-2,3-dihydropyridin-5-ol
CID 89023381
(3E)-5-methyliminohepta-1,3-dien-4-ol
CID 117656519
(E)-5-iodo-4-methyliminopent-2-en-3-ol
CID 118890961
ethane;(E)-4-methyliminohex-2-en-3-ol
CID 143063241
6-Ethyl-2,3-dihydropyridin-5-ol
CID 143063370
(E)-5-iminohept-3-en-4-ol
CID 163982995
(E)-5-prop-2-enyliminohex-2-en-3-ol
CID 21719064
6-Methyliminocyclohexa-1,3-dien-1-ol
CID 70502940
(Z,4Z)-4-hydroxyiminohex-2-en-3-ol
CID 100921291

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyliminohex-2-en-3-ol?
The IUPAC name of (E)-4-methyliminohex-2-en-3-ol (CID 143063242) is (E)-4-methyliminohex-2-en-3-ol.
What is the SMILES notation for (E)-4-methyliminohex-2-en-3-ol?
The canonical SMILES for (E)-4-methyliminohex-2-en-3-ol is C/C=C(O)\C(CC)=N\C.
What is the InChIKey of (E)-4-methyliminohex-2-en-3-ol?
The InChIKey is BCXBHWYQEBJMAI-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(8-3)7(9)5-2/h5,9H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (E)-4-methyliminohex-2-en-3-ol?
(E)-4-methyliminohex-2-en-3-ol has a molecular weight of 127.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyliminohex-2-en-3-ol is sourced from PubChem (CID 143063242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).