N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C16H20N2O4 — CID 110795814

IUPACN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc2c(cc1CCNC(=O)C1CCC(=O)N1)OCCO2
InChIInChI=1S/C16H20N2O4/c1-10-8-13-14(22-7-6-21-13)9-11(10)4-5-17-16(20)12-2-3-15(19)18-12/h8-9,12H,2-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyURIAKLJHZCQDIX-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.70
Rot. Bonds4

About N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110795814) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110795814
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc2c(cc1CCNC(=O)C1CCC(=O)N1)OCCO2
InChIInChI=1S/C16H20N2O4/c1-10-8-13-14(22-7-6-21-13)9-11(10)4-5-17-16(20)12-2-3-15(19)18-12/h8-9,12H,2-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyURIAKLJHZCQDIX-UHFFFAOYSA-N
XLogP0.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110795814) is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc2c(cc1CCNC(=O)C1CCC(=O)N1)OCCO2.
What is the InChIKey of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is URIAKLJHZCQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-8-13-14(22-7-6-21-13)9-11(10)4-5-17-16(20)12-2-3-15(19)18-12/h8-9,12H,2-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110795814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).