3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone

C15H20N2O2 — CID 79181648

IUPAC3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3O2)CC1C
InChIInChI=1S/C15H20N2O2/c1-10-8-17(9-11(10)2)15(18)14-7-16-12-5-3-4-6-13(12)19-14/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyMZCLPJJAVJVWCK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.97
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79181648) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79181648
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3O2)CC1C
InChIInChI=1S/C15H20N2O2/c1-10-8-17(9-11(10)2)15(18)14-7-16-12-5-3-4-6-13(12)19-14/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyMZCLPJJAVJVWCK-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79181648) is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)C2CNc3ccccc3O2)CC1C.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is MZCLPJJAVJVWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-8-17(9-11(10)2)15(18)14-7-16-12-5-3-4-6-13(12)19-14/h3-6,10-11,14,16H,7-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79181648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).