6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine

C10H15NO — CID 141207115

IUPAC6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine
SMILESC#CCN1CC=C(C(C)C)OC1
InChIInChI=1S/C10H15NO/c1-4-6-11-7-5-10(9(2)3)12-8-11/h1,5,9H,6-8H2,2-3H3
InChIKeyVGUAQEGFWUJUKQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.45
Rot. Bonds2

About 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine

6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine (PubChem CID 141207115) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine
PubChem CID141207115
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine
SMILESC#CCN1CC=C(C(C)C)OC1
InChIInChI=1S/C10H15NO/c1-4-6-11-7-5-10(9(2)3)12-8-11/h1,5,9H,6-8H2,2-3H3
InChIKeyVGUAQEGFWUJUKQ-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine?
The IUPAC name of 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine (CID 141207115) is 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine is C#CCN1CC=C(C(C)C)OC1.
What is the InChIKey of 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine?
The InChIKey is VGUAQEGFWUJUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-11-7-5-10(9(2)3)12-8-11/h1,5,9H,6-8H2,2-3H3.
What are the key properties of 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine?
6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine has a molecular weight of 165.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-prop-2-ynyl-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 141207115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).