(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone

C15H20N2O2 — CID 82341426

IUPAC(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone
SMILESCCC1CNc2cc(C(=O)C3CCCN3)ccc2O1
InChIInChI=1S/C15H20N2O2/c1-2-11-9-17-13-8-10(5-6-14(13)19-11)15(18)12-4-3-7-16-12/h5-6,8,11-12,16-17H,2-4,7,9H2,1H3
InChIKeyUZWBRJDQMOUCNC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds3

About (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone

(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone (PubChem CID 82341426) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone
PubChem CID82341426
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone
SMILESCCC1CNc2cc(C(=O)C3CCCN3)ccc2O1
InChIInChI=1S/C15H20N2O2/c1-2-11-9-17-13-8-10(5-6-14(13)19-11)15(18)12-4-3-7-16-12/h5-6,8,11-12,16-17H,2-4,7,9H2,1H3
InChIKeyUZWBRJDQMOUCNC-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261703
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone
CID 82260983
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
2-[[2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]propanoic acid
CID 82261895
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82339617
2-[2-(dimethylamino)ethylamino]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261920
(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
CID 64866818
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one
CID 80500008
4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82232965

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone (CID 82341426) is (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone is CCC1CNc2cc(C(=O)C3CCCN3)ccc2O1.
What is the InChIKey of (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is UZWBRJDQMOUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-11-9-17-13-8-10(5-6-14(13)19-11)15(18)12-4-3-7-16-12/h5-6,8,11-12,16-17H,2-4,7,9H2,1H3.
What are the key properties of (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone?
(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82341426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).