4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one

C14H16N2O3 — CID 82232965

IUPAC4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C(=O)C3CCCN3)cc21
InChIInChI=1S/C14H16N2O3/c1-16-11-7-9(14(18)10-3-2-6-15-10)4-5-12(11)19-8-13(16)17/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyMPYLNCSYKGNDAN-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.98
Rot. Bonds2

About 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one

4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one (PubChem CID 82232965) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
PubChem CID82232965
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C(=O)C3CCCN3)cc21
InChIInChI=1S/C14H16N2O3/c1-16-11-7-9(14(18)10-3-2-6-15-10)4-5-12(11)19-8-13(16)17/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyMPYLNCSYKGNDAN-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82339617
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-amino-4-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 115159175
6-[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 56907101
piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
CID 82340061
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl cyanide
CID 116918990
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
4-methyl-6-(3-piperazin-1-ylpropanoyl)-1,4-benzoxazin-3-one
CID 82095735
4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one
CID 22326696
4-methyl-6-(3-pyridin-4-ylazetidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 121495598
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one (CID 82232965) is 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(C(=O)C3CCCN3)cc21.
What is the InChIKey of 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one?
The InChIKey is MPYLNCSYKGNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-11-7-9(14(18)10-3-2-6-15-10)4-5-12(11)19-8-13(16)17/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one?
4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one has a molecular weight of 260.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82232965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).