(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol

C12H15NO — CID 118258282

IUPAC(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/N=C1\C(O)=CC=C\C1=C\C=C(C)C
InChIInChI=1S/C12H15NO/c1-9(2)7-8-10-5-4-6-11(14)12(10)13-3/h4-8,14H,1-3H3/b10-8-,13-12-
InChIKeyBMLRGYTZHXQJMK-OCACNAFOSA-N
MW189.26 g/mol
LogP2.96
Rot. Bonds1

About (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol

(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol (PubChem CID 118258282) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol
PubChem CID118258282
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/N=C1\C(O)=CC=C\C1=C\C=C(C)C
InChIInChI=1S/C12H15NO/c1-9(2)7-8-10-5-4-6-11(14)12(10)13-3/h4-8,14H,1-3H3/b10-8-,13-12-
InChIKeyBMLRGYTZHXQJMK-OCACNAFOSA-N
XLogP2.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.96
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-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol?
The IUPAC name of (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol (CID 118258282) is (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol is C/N=C1\C(O)=CC=C\C1=C\C=C(C)C.
What is the InChIKey of (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol?
The InChIKey is BMLRGYTZHXQJMK-OCACNAFOSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)7-8-10-5-4-6-11(14)12(10)13-3/h4-8,14H,1-3H3/b10-8-,13-12-.
What are the key properties of (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol?
(5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol has a molecular weight of 189.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3-methylbut-2-enylidene)-6-methyliminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 118258282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).