(6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol

C14H19NO2 — CID 87701022

IUPAC(6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol
SMILESC=CCN(/C=C1\C=CC=C(OC)C1O)CC=C
InChIInChI=1S/C14H19NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h4-8,11,14,16H,1-2,9-10H2,3H3/b12-11+
InChIKeyZJBBQEKCIWNKFW-VAWYXSNFSA-N
MW233.31 g/mol
LogP2.01
Rot. Bonds6

About (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol

(6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 87701022) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol
PubChem CID87701022
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol
SMILESC=CCN(/C=C1\C=CC=C(OC)C1O)CC=C
InChIInChI=1S/C14H19NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h4-8,11,14,16H,1-2,9-10H2,3H3/b12-11+
InChIKeyZJBBQEKCIWNKFW-VAWYXSNFSA-N
XLogP2.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol (CID 87701022) is (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol is C=CCN(/C=C1\C=CC=C(OC)C1O)CC=C.
What is the InChIKey of (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is ZJBBQEKCIWNKFW-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h4-8,11,14,16H,1-2,9-10H2,3H3/b12-11+.
What are the key properties of (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
(6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[[bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 87701022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).