6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol

C11H17NO3 — CID 88797108

IUPAC6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
SMILESCC(O)N(C=C1CC=CC=C1O)C(C)O
InChIInChI=1S/C11H17NO3/c1-8(13)12(9(2)14)7-10-5-3-4-6-11(10)15/h3-4,6-9,13-15H,5H2,1-2H3
InChIKeyAOPGTKDIJYOLGZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds3

About 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol

6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol (PubChem CID 88797108) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
PubChem CID88797108
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
SMILESCC(O)N(C=C1CC=CC=C1O)C(C)O
InChIInChI=1S/C11H17NO3/c1-8(13)12(9(2)14)7-10-5-3-4-6-11(10)15/h3-4,6-9,13-15H,5H2,1-2H3
InChIKeyAOPGTKDIJYOLGZ-UHFFFAOYSA-N
XLogP1.25
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol (CID 88797108) is 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol is CC(O)N(C=C1CC=CC=C1O)C(C)O.
What is the InChIKey of 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
The InChIKey is AOPGTKDIJYOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)12(9(2)14)7-10-5-3-4-6-11(10)15/h3-4,6-9,13-15H,5H2,1-2H3.
What are the key properties of 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol has a molecular weight of 211.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(1-hydroxyethyl)amino]methylidene]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 88797108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).