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

C10H17NO — CID 141207119

IUPAC6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
SMILESC=CCN1CC=C(C(C)C)OC1
InChIInChI=1S/C10H17NO/c1-4-6-11-7-5-10(9(2)3)12-8-11/h4-5,9H,1,6-8H2,2-3H3
InChIKeyMERLULPPCULMNS-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds3

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

6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine (PubChem CID 141207119) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
PubChem CID141207119
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
SMILESC=CCN1CC=C(C(C)C)OC1
InChIInChI=1S/C10H17NO/c1-4-6-11-7-5-10(9(2)3)12-8-11/h4-5,9H,1,6-8H2,2-3H3
InChIKeyMERLULPPCULMNS-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine?
The IUPAC name of 6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine (CID 141207119) is 6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 6-propan-2-yl-3-prop-2-enyl-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-enyl-2,4-dihydro-1,3-oxazine?
The InChIKey is MERLULPPCULMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-11-7-5-10(9(2)3)12-8-11/h4-5,9H,1,6-8H2,2-3H3.
What are the key properties of 6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine?
6-propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 3 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-enyl-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 141207119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).