(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol

C13H17NO — CID 90079310

IUPAC(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/C=C\C=C1\C(C)=CC(C)=C(O)\C1=N/C
InChIInChI=1S/C13H17NO/c1-5-6-7-11-9(2)8-10(3)13(15)12(11)14-4/h5-8,15H,1-4H3/b6-5-,11-7-,14-12-
InChIKeyMFCXQYPPDVWHNM-HMYCIIBQSA-N
MW203.28 g/mol
LogP3.35
Rot. Bonds1

About (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol

(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol (PubChem CID 90079310) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol
PubChem CID90079310
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/C=C\C=C1\C(C)=CC(C)=C(O)\C1=N/C
InChIInChI=1S/C13H17NO/c1-5-6-7-11-9(2)8-10(3)13(15)12(11)14-4/h5-8,15H,1-4H3/b6-5-,11-7-,14-12-
InChIKeyMFCXQYPPDVWHNM-HMYCIIBQSA-N
XLogP3.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.35
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]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol?
The IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol (CID 90079310) is (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol is C/C=C\C=C1\C(C)=CC(C)=C(O)\C1=N/C.
What is the InChIKey of (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol?
The InChIKey is MFCXQYPPDVWHNM-HMYCIIBQSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-6-7-11-9(2)8-10(3)13(15)12(11)14-4/h5-8,15H,1-4H3/b6-5-,11-7-,14-12-.
What are the key properties of (5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol?
(5Z)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol has a molecular weight of 203.28 g/mol, XLogP of 3.35, 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]-2,4-dimethyl-6-methyliminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 90079310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).