N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide

C14H18N2O3 — CID 115159245

IUPACN-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1cc2c(cc1N(C)C(=O)C1CCCN1)OCO2
InChIInChI=1S/C14H18N2O3/c1-9-6-12-13(19-8-18-12)7-11(9)16(2)14(17)10-4-3-5-15-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyFQNMBHMOPAGGJG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide

N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 115159245) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
PubChem CID115159245
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1cc2c(cc1N(C)C(=O)C1CCCN1)OCO2
InChIInChI=1S/C14H18N2O3/c1-9-6-12-13(19-8-18-12)7-11(9)16(2)14(17)10-4-3-5-15-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyFQNMBHMOPAGGJG-UHFFFAOYSA-N
XLogP1.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
CID 115159469
N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 115159221
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 169286660
N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 115159253
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628577
(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628597
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide (CID 115159245) is N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide is Cc1cc2c(cc1N(C)C(=O)C1CCCN1)OCO2.
What is the InChIKey of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is FQNMBHMOPAGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-12-13(19-8-18-12)7-11(9)16(2)14(17)10-4-3-5-15-10/h6-7,10,15H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide?
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115159245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).