[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

C14H22N2O3 — CID 129484746

IUPAC[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCOC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC(C)(C)O1
InChIInChI=1S/C14H22N2O3/c1-10-12(5-6-15-10)13(17)16-7-11(8-18-4)19-14(2,3)9-16/h5-6,11,15H,7-9H2,1-4H3/t11-/m0/s1
InChIKeyDNNLZXMOKQXGJB-NSHDSACASA-N
MW266.34 g/mol
LogP1.59
Rot. Bonds3

About [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 129484746) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID129484746
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCOC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC(C)(C)O1
InChIInChI=1S/C14H22N2O3/c1-10-12(5-6-15-10)13(17)16-7-11(8-18-4)19-14(2,3)9-16/h5-6,11,15H,7-9H2,1-4H3/t11-/m0/s1
InChIKeyDNNLZXMOKQXGJB-NSHDSACASA-N
XLogP1.59
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (CID 129484746) is [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is COC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC(C)(C)O1.
What is the InChIKey of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is DNNLZXMOKQXGJB-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-12(5-6-15-10)13(17)16-7-11(8-18-4)19-14(2,3)9-16/h5-6,11,15H,7-9H2,1-4H3/t11-/m0/s1.
What are the key properties of [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 129484746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).