acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine

C14H25NO — CID 143940181

IUPACacetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC#C.C/C=C\C1=C(CC)CN(C)CO1.CC
InChIInChI=1S/C10H17NO.C2H6.C2H2/c1-4-6-10-9(5-2)7-11(3)8-12-10;2*1-2/h4,6H,5,7-8H2,1-3H3;1-2H3;1-2H/b6-4-;;
InChIKeyHTCXBTIHVZGAHL-XFUGJFOESA-N
MW223.36 g/mol
LogP3.42
Rot. Bonds2

About acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine

acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (PubChem CID 143940181) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Nameacetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
PubChem CID143940181
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameacetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC#C.C/C=C\C1=C(CC)CN(C)CO1.CC
InChIInChI=1S/C10H17NO.C2H6.C2H2/c1-4-6-10-9(5-2)7-11(3)8-12-10;2*1-2/h4,6H,5,7-8H2,1-3H3;1-2H3;1-2H/b6-4-;;
InChIKeyHTCXBTIHVZGAHL-XFUGJFOESA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine 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 acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The IUPAC name of acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (CID 143940181) is acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The canonical SMILES for acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is C#C.C/C=C\C1=C(CC)CN(C)CO1.CC.
What is the InChIKey of acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The InChIKey is HTCXBTIHVZGAHL-XFUGJFOESA-N. The full InChI is InChI=1S/C10H17NO.C2H6.C2H2/c1-4-6-10-9(5-2)7-11(3)8-12-10;2*1-2/h4,6H,5,7-8H2,1-3H3;1-2H3;1-2H/b6-4-;;.
What are the key properties of acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine has a molecular weight of 223.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 143940181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).