6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one

C20H26N2O3 — CID 15730157

IUPAC6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)CC2C(=O)N1CCOCC1CN1CCCC1
InChIInChI=1S/C20H26N2O3/c1-14-4-5-16-17(10-14)19(23)11-18(16)20(24)22-8-9-25-13-15(22)12-21-6-2-3-7-21/h4-5,10,15,18H,2-3,6-9,11-13H2,1H3
InChIKeyWGEKTEJYEWBRRG-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds3

About 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one

6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 15730157) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one
PubChem CID15730157
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)CC2C(=O)N1CCOCC1CN1CCCC1
InChIInChI=1S/C20H26N2O3/c1-14-4-5-16-17(10-14)19(23)11-18(16)20(24)22-8-9-25-13-15(22)12-21-6-2-3-7-21/h4-5,10,15,18H,2-3,6-9,11-13H2,1H3
InChIKeyWGEKTEJYEWBRRG-UHFFFAOYSA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one (CID 15730157) is 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one is Cc1ccc2c(c1)C(=O)CC2C(=O)N1CCOCC1CN1CCCC1.
What is the InChIKey of 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is WGEKTEJYEWBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-4-5-16-17(10-14)19(23)11-18(16)20(24)22-8-9-25-13-15(22)12-21-6-2-3-7-21/h4-5,10,15,18H,2-3,6-9,11-13H2,1H3.
What are the key properties of 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one?
6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 15730157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).