1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one

C14H19NO2 — CID 141173073

IUPAC1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one
SMILESCCN1C(=O)OC(C(C)C)c2cc(C)ccc21
InChIInChI=1S/C14H19NO2/c1-5-15-12-7-6-10(4)8-11(12)13(9(2)3)17-14(15)16/h6-9,13H,5H2,1-4H3
InChIKeyQZNHKKKXCCAIKC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.67
Rot. Bonds2

About 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one

1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one (PubChem CID 141173073) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one
PubChem CID141173073
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one
SMILESCCN1C(=O)OC(C(C)C)c2cc(C)ccc21
InChIInChI=1S/C14H19NO2/c1-5-15-12-7-6-10(4)8-11(12)13(9(2)3)17-14(15)16/h6-9,13H,5H2,1-4H3
InChIKeyQZNHKKKXCCAIKC-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one (CID 141173073) is 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one is CCN1C(=O)OC(C(C)C)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one?
The InChIKey is QZNHKKKXCCAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15-12-7-6-10(4)8-11(12)13(9(2)3)17-14(15)16/h6-9,13H,5H2,1-4H3.
What are the key properties of 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one?
1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 141173073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).