4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one

C13H17NO2 — CID 143343554

IUPAC4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one
SMILESCCCC1=CC2=C(CC=C1)OCC(=O)N2C
InChIInChI=1S/C13H17NO2/c1-3-5-10-6-4-7-12-11(8-10)14(2)13(15)9-16-12/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyOFAYODSKQSFYBS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.37
Rot. Bonds2

About 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one

4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one (PubChem CID 143343554) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one
PubChem CID143343554
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one
SMILESCCCC1=CC2=C(CC=C1)OCC(=O)N2C
InChIInChI=1S/C13H17NO2/c1-3-5-10-6-4-7-12-11(8-10)14(2)13(15)9-16-12/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyOFAYODSKQSFYBS-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one?
The IUPAC name of 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one (CID 143343554) is 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one.
What is the SMILES notation for 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one?
The canonical SMILES for 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one is CCCC1=CC2=C(CC=C1)OCC(=O)N2C.
What is the InChIKey of 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one?
The InChIKey is OFAYODSKQSFYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-5-10-6-4-7-12-11(8-10)14(2)13(15)9-16-12/h4,6,8H,3,5,7,9H2,1-2H3.
What are the key properties of 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one?
4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one has a molecular weight of 219.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propyl-9H-cyclohepta[b][1,4]oxazin-3-one is sourced from PubChem (CID 143343554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).