(E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine

C10H15NO — CID 118048229

IUPAC(E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine
SMILESC/C=C/C=C1/CCCO/C1=C/N
InChIInChI=1S/C10H15NO/c1-2-3-5-9-6-4-7-12-10(9)8-11/h2-3,5,8H,4,6-7,11H2,1H3/b3-2+,9-5-,10-8+
InChIKeyRXQTYMOBXKXQMX-VFXJKGLNSA-N
MW165.24 g/mol
LogP2.10
Rot. Bonds1

About (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine

(E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine (PubChem CID 118048229) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine
PubChem CID118048229
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine
SMILESC/C=C/C=C1/CCCO/C1=C/N
InChIInChI=1S/C10H15NO/c1-2-3-5-9-6-4-7-12-10(9)8-11/h2-3,5,8H,4,6-7,11H2,1H3/b3-2+,9-5-,10-8+
InChIKeyRXQTYMOBXKXQMX-VFXJKGLNSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine?
The IUPAC name of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine (CID 118048229) is (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine.
What is the SMILES notation for (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine?
The canonical SMILES for (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine is C/C=C/C=C1/CCCO/C1=C/N.
What is the InChIKey of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine?
The InChIKey is RXQTYMOBXKXQMX-VFXJKGLNSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-5-9-6-4-7-12-10(9)8-11/h2-3,5,8H,4,6-7,11H2,1H3/b3-2+,9-5-,10-8+.
What are the key properties of (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine?
(E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine has a molecular weight of 165.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3Z)-3-[(E)-but-2-enylidene]oxan-2-ylidene]methanamine is sourced from PubChem (CID 118048229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).