(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone

C19H20N2O2 — CID 130345290

IUPAC(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H20N2O2/c22-19(16-8-9-20-13-16)21-10-11-23-18-7-6-15(12-17(18)21)14-4-2-1-3-5-14/h1-7,12,16,20H,8-11,13H2/t16-/m1/s1
InChIKeyQLLBRWAFVSIKNJ-MRXNPFEDSA-N
MW308.38 g/mol
LogP2.69
Rot. Bonds2

About (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone

(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 130345290) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID130345290
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H20N2O2/c22-19(16-8-9-20-13-16)21-10-11-23-18-7-6-15(12-17(18)21)14-4-2-1-3-5-14/h1-7,12,16,20H,8-11,13H2/t16-/m1/s1
InChIKeyQLLBRWAFVSIKNJ-MRXNPFEDSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
CID 175322800
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 174921124
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 83762011
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R)-pyrrolidin-3-yl]oxyethanone
CID 154868078
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119889173
1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 63007267
2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 166228873
(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119891426
3-(2,3,4,4a,5,6-hexahydro-1H-pyrazino[2,1-d][1,5]benzoxazepin-10-yl)phenol
CID 67458531

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone (CID 130345290) is (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone is O=C([C@@H]1CCNC1)N1CCOc2ccc(-c3ccccc3)cc21.
What is the InChIKey of (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is QLLBRWAFVSIKNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(16-8-9-20-13-16)21-10-11-23-18-7-6-15(12-17(18)21)14-4-2-1-3-5-14/h1-7,12,16,20H,8-11,13H2/t16-/m1/s1.
What are the key properties of (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone?
(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 130345290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).