(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine

C10H14N2O — CID 167072784

IUPAC(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/N)C1=C(C=C)NCCO1
InChIInChI=1S/C10H14N2O/c1-3-5-8(11)10-9(4-2)12-6-7-13-10/h3-5,12H,1-2,6-7,11H2/b8-5+
InChIKeyHKGZBOLIIPJAGW-VMPITWQZSA-N
MW178.23 g/mol
LogP1.03
Rot. Bonds3

About (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine

(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine (PubChem CID 167072784) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine
PubChem CID167072784
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/N)C1=C(C=C)NCCO1
InChIInChI=1S/C10H14N2O/c1-3-5-8(11)10-9(4-2)12-6-7-13-10/h3-5,12H,1-2,6-7,11H2/b8-5+
InChIKeyHKGZBOLIIPJAGW-VMPITWQZSA-N
XLogP1.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)methanimine
CID 164919011
5,6-bis(ethenyl)-1,2,3,4-tetrahydropyrazine
CID 143140752
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
(2E)-2-benzylidene-1,3-oxazolidine
CID 102070685
5-methyl-2,3,4,6-tetrahydrocyclopenta[b][1,4]oxazin-7-ol
CID 163540965
2-(2-methylpropylidene)-1,3-oxazolidine
CID 174399163
6-ethenyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydropyridine
CID 153340913
2-(pyrrolidin-1-ylmethylidene)-1,3-oxazolidine
CID 174864326
1,3-oxazolidin-2-one;hydrate
CID 141149411
5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
CID 123877582
(1Z)-1-phosphanylbuta-1,3-dien-1-amine
CID 100934666
2-[bis(prop-2-enyl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260676

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine (CID 167072784) is (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine is C=C/C=C(/N)C1=C(C=C)NCCO1.
What is the InChIKey of (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine?
The InChIKey is HKGZBOLIIPJAGW-VMPITWQZSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-5-8(11)10-9(4-2)12-6-7-13-10/h3-5,12H,1-2,6-7,11H2/b8-5+.
What are the key properties of (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine?
(1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 167072784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).