2-pentyloxazine

C9H15NO — CID 22999520

IUPAC2-pentyloxazine
SMILESCCCCCN1C=CC=CO1
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyGHDAYOJHQHFFBN-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.45
Rot. Bonds4

About 2-pentyloxazine

2-pentyloxazine (PubChem CID 22999520) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-pentyloxazine.

Molecular Properties

Compound Name2-pentyloxazine
PubChem CID22999520
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-pentyloxazine
SMILESCCCCCN1C=CC=CO1
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyGHDAYOJHQHFFBN-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyloxazine?
The IUPAC name of 2-pentyloxazine (CID 22999520) is 2-pentyloxazine.
What is the SMILES notation for 2-pentyloxazine?
The canonical SMILES for 2-pentyloxazine is CCCCCN1C=CC=CO1.
What is the InChIKey of 2-pentyloxazine?
The InChIKey is GHDAYOJHQHFFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 2-pentyloxazine?
2-pentyloxazine has a molecular weight of 153.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyloxazine is sourced from PubChem (CID 22999520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).