(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone

C14H17NO4 — CID 116919627

IUPAC(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone
SMILESCc1cc2c(cc1C(=O)C1COCCN1)OCCO2
InChIInChI=1S/C14H17NO4/c1-9-6-12-13(19-5-4-18-12)7-10(9)14(16)11-8-17-3-2-15-11/h6-7,11,15H,2-5,8H2,1H3
InChIKeyPMBQQTDEICFUCK-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.94
Rot. Bonds2

About (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone

(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone (PubChem CID 116919627) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone
PubChem CID116919627
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone
SMILESCc1cc2c(cc1C(=O)C1COCCN1)OCCO2
InChIInChI=1S/C14H17NO4/c1-9-6-12-13(19-5-4-18-12)7-10(9)14(16)11-8-17-3-2-15-11/h6-7,11,15H,2-5,8H2,1H3
InChIKeyPMBQQTDEICFUCK-UHFFFAOYSA-N
XLogP0.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone?
The IUPAC name of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone (CID 116919627) is (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone is Cc1cc2c(cc1C(=O)C1COCCN1)OCCO2.
What is the InChIKey of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone?
The InChIKey is PMBQQTDEICFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-6-12-13(19-5-4-18-12)7-10(9)14(16)11-8-17-3-2-15-11/h6-7,11,15H,2-5,8H2,1H3.
What are the key properties of (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone?
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone has a molecular weight of 263.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 116919627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).