6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 104583810

IUPAC6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESC=CCCC(C)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H20N2O2/c1-4-5-6-10(2)16-12-7-8-14-13(9-12)17-15(18)11(3)19-14/h4,7-11,16H,1,5-6H2,2-3H3,(H,17,18)
InChIKeyHEGWAGJTKRPYED-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.17
Rot. Bonds5

About 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one

6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 104583810) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID104583810
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESC=CCCC(C)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H20N2O2/c1-4-5-6-10(2)16-12-7-8-14-13(9-12)17-15(18)11(3)19-14/h4,7-11,16H,1,5-6H2,2-3H3,(H,17,18)
InChIKeyHEGWAGJTKRPYED-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 103930986
2-methyl-6-(2-methylpentylamino)-4H-1,4-benzoxazin-3-one
CID 43685662
2-methyl-6-(2-methylbutylamino)-4H-1,4-benzoxazin-3-one
CID 43685669
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79284913
6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82494411
2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 103561194
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
6-[1-(3-bromothiophen-2-yl)ethylamino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 43781541
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
6-(cyclopropylmethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43685723
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 94176787

Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one (CID 104583810) is 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one is C=CCCC(C)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is HEGWAGJTKRPYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-5-6-10(2)16-12-7-8-14-13(9-12)17-15(18)11(3)19-14/h4,7-11,16H,1,5-6H2,2-3H3,(H,17,18).
What are the key properties of 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 104583810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).