(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol

C11H13NO — CID 90079309

IUPAC(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/C=C\C=C1\C=CC=C(O)\C1=N/C
InChIInChI=1S/C11H13NO/c1-3-4-6-9-7-5-8-10(13)11(9)12-2/h3-8,13H,1-2H3/b4-3-,9-6-,12-11-
InChIKeyMKBNZJGNJIIYQE-LPPXQCLASA-N
MW175.23 g/mol
LogP2.57
Rot. Bonds1

About (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol

(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol (PubChem CID 90079309) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol
PubChem CID90079309
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/C=C\C=C1\C=CC=C(O)\C1=N/C
InChIInChI=1S/C11H13NO/c1-3-4-6-9-7-5-8-10(13)11(9)12-2/h3-8,13H,1-2H3/b4-3-,9-6-,12-11-
InChIKeyMKBNZJGNJIIYQE-LPPXQCLASA-N
XLogP2.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.57
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 (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol?
The IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol (CID 90079309) is (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol is C/C=C\C=C1\C=CC=C(O)\C1=N/C.
What is the InChIKey of (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol?
The InChIKey is MKBNZJGNJIIYQE-LPPXQCLASA-N. The full InChI is InChI=1S/C11H13NO/c1-3-4-6-9-7-5-8-10(13)11(9)12-2/h3-8,13H,1-2H3/b4-3-,9-6-,12-11-.
What are the key properties of (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol?
(5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol has a molecular weight of 175.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-but-2-enylidene]-6-methyliminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 90079309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).