6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one

C15H20N2O2 — CID 43492910

IUPAC6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)C1CC1C
InChIInChI=1S/C15H20N2O2/c1-3-16-15(11-6-9(11)2)10-4-5-13-12(7-10)17-14(18)8-19-13/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyDRVYHZSHJGTYHD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds4

About 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one

6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43492910) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID43492910
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)C1CC1C
InChIInChI=1S/C15H20N2O2/c1-3-16-15(11-6-9(11)2)10-4-5-13-12(7-10)17-14(18)8-19-13/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyDRVYHZSHJGTYHD-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904
6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
CID 43492901
6-[ethylamino(phenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492891
5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490686
6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492884
6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 43497613
N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide
CID 43574158
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-[1-(dimethylamino)-2-sulfanylethyl]-4H-1,4-benzoxazin-3-one
CID 116908828
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[bromo-(2,2-dimethylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
CID 107002724

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one (CID 43492910) is 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one is CCNC(c1ccc2c(c1)NC(=O)CO2)C1CC1C.
What is the InChIKey of 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is DRVYHZSHJGTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-16-15(11-6-9(11)2)10-4-5-13-12(7-10)17-14(18)8-19-13/h4-5,7,9,11,15-16H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one?
6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43492910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).