(7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone

C13H14ClNO4 — CID 24630449

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)CCO1
InChIInChI=1S/C13H14ClNO4/c1-8-6-15(2-3-17-8)13(16)9-4-10(14)12-11(5-9)18-7-19-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLUEAAMVWXTVIJF-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.93
Rot. Bonds1

About (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone

(7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 24630449) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID24630449
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)CCO1
InChIInChI=1S/C13H14ClNO4/c1-8-6-15(2-3-17-8)13(16)9-4-10(14)12-11(5-9)18-7-19-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLUEAAMVWXTVIJF-UHFFFAOYSA-N
XLogP1.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone (CID 24630449) is (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)CCO1.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is LUEAAMVWXTVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-8-6-15(2-3-17-8)13(16)9-4-10(14)12-11(5-9)18-7-19-12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone?
(7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 283.71 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 24630449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).