N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide

C15H16N2O3 — CID 25161990

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C15H16N2O3/c1-17-8-4-5-12(17)15(18)16-9-11-10-19-13-6-2-3-7-14(13)20-11/h2-8,11H,9-10H2,1H3,(H,16,18)
InChIKeySMOLSTVPMZMTSI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.59
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 25161990) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide
PubChem CID25161990
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C15H16N2O3/c1-17-8-4-5-12(17)15(18)16-9-11-10-19-13-6-2-3-7-14(13)20-11/h2-8,11H,9-10H2,1H3,(H,16,18)
InChIKeySMOLSTVPMZMTSI-UHFFFAOYSA-N
XLogP1.59
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide (CID 25161990) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is SMOLSTVPMZMTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17-8-4-5-12(17)15(18)16-9-11-10-19-13-6-2-3-7-14(13)20-11/h2-8,11H,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 25161990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).