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

C14H18N2O2 — CID 43492904

IUPAC6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)C1CC1
InChIInChI=1S/C14H18N2O2/c1-2-15-14(9-3-4-9)10-5-6-12-11(7-10)16-13(17)8-18-12/h5-7,9,14-15H,2-4,8H2,1H3,(H,16,17)
InChIKeyZUOLWXNFVGEMTI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.08
Rot. Bonds4

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

6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43492904) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID43492904
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)C1CC1
InChIInChI=1S/C14H18N2O2/c1-2-15-14(9-3-4-9)10-5-6-12-11(7-10)16-13(17)8-18-12/h5-7,9,14-15H,2-4,8H2,1H3,(H,16,17)
InChIKeyZUOLWXNFVGEMTI-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492910
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
6-[methylamino(pyrrolidin-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 116951071
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
6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
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

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one (CID 43492904) is 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one is CCNC(c1ccc2c(c1)NC(=O)CO2)C1CC1.
What is the InChIKey of 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is ZUOLWXNFVGEMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-15-14(9-3-4-9)10-5-6-12-11(7-10)16-13(17)8-18-12/h5-7,9,14-15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one?
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43492904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).