(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine

C9H13NO2 — CID 170031018

IUPAC(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
SMILESC/C=C\C=C1\OCCO\C1=C/N
InChIInChI=1S/C9H13NO2/c1-2-3-4-8-9(7-10)12-6-5-11-8/h2-4,7H,5-6,10H2,1H3/b3-2-,8-4+,9-7-
InChIKeyHCQQMMFJBZTFKP-DMXONBMISA-N
MW167.21 g/mol
LogP1.29
Rot. Bonds1

About (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine

(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine (PubChem CID 170031018) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
PubChem CID170031018
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
SMILESC/C=C\C=C1\OCCO\C1=C/N
InChIInChI=1S/C9H13NO2/c1-2-3-4-8-9(7-10)12-6-5-11-8/h2-4,7H,5-6,10H2,1H3/b3-2-,8-4+,9-7-
InChIKeyHCQQMMFJBZTFKP-DMXONBMISA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
The IUPAC name of (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine (CID 170031018) is (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine.
What is the SMILES notation for (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
The canonical SMILES for (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine is C/C=C\C=C1\OCCO\C1=C/N.
What is the InChIKey of (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
The InChIKey is HCQQMMFJBZTFKP-DMXONBMISA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-4-8-9(7-10)12-6-5-11-8/h2-4,7H,5-6,10H2,1H3/b3-2-,8-4+,9-7-.
What are the key properties of (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine?
(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine has a molecular weight of 167.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine is sourced from PubChem (CID 170031018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).