2-butyloxazine

C8H13NO — CID 22999528

IUPAC2-butyloxazine
SMILESCCCCN1C=CC=CO1
InChIInChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVXVIUQPCDCHDNW-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.06
Rot. Bonds3

About 2-butyloxazine

2-butyloxazine (PubChem CID 22999528) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-butyloxazine.

Molecular Properties

Compound Name2-butyloxazine
PubChem CID22999528
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-butyloxazine
SMILESCCCCN1C=CC=CO1
InChIInChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVXVIUQPCDCHDNW-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyloxazine?
The IUPAC name of 2-butyloxazine (CID 22999528) is 2-butyloxazine.
What is the SMILES notation for 2-butyloxazine?
The canonical SMILES for 2-butyloxazine is CCCCN1C=CC=CO1.
What is the InChIKey of 2-butyloxazine?
The InChIKey is VXVIUQPCDCHDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-butyloxazine?
2-butyloxazine has a molecular weight of 139.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxazine is sourced from PubChem (CID 22999528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).