(6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol

C14H23NO2 — CID 87695717

IUPAC(6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol
SMILESCCCN(/C=C1\C=CC=C(OC)C1O)CCC
InChIInChI=1S/C14H23NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h6-8,11,14,16H,4-5,9-10H2,1-3H3/b12-11+
InChIKeyRGWGKFUEZLMLCO-VAWYXSNFSA-N
MW237.34 g/mol
LogP2.45
Rot. Bonds6

About (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol

(6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 87695717) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol
PubChem CID87695717
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol
SMILESCCCN(/C=C1\C=CC=C(OC)C1O)CCC
InChIInChI=1S/C14H23NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h6-8,11,14,16H,4-5,9-10H2,1-3H3/b12-11+
InChIKeyRGWGKFUEZLMLCO-VAWYXSNFSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol (CID 87695717) is (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol is CCCN(/C=C1\C=CC=C(OC)C1O)CCC.
What is the InChIKey of (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is RGWGKFUEZLMLCO-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h6-8,11,14,16H,4-5,9-10H2,1-3H3/b12-11+.
What are the key properties of (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol?
(6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(dipropylamino)methylidene]-2-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 87695717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).