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

C14H18N2O3 — CID 115159469

IUPACN-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1cc2c(cc1N(C)C(=O)C1CCNC1)OCO2
InChIInChI=1S/C14H18N2O3/c1-9-5-12-13(19-8-18-12)6-11(9)16(2)14(17)10-3-4-15-7-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeySLMFBACQWOFBFA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.30
Rot. Bonds2

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

N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 115159469) 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-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
PubChem CID115159469
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1cc2c(cc1N(C)C(=O)C1CCNC1)OCO2
InChIInChI=1S/C14H18N2O3/c1-9-5-12-13(19-8-18-12)6-11(9)16(2)14(17)10-3-4-15-7-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeySLMFBACQWOFBFA-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 115159245
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
1-(hydroxymethyl)-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 115182186
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
cesium;carbanide;N,N-dimethylpyrrolidine-3-carboxamide
CID 177005866
3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
CID 115180466
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
N-(2-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 91609234
N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylazetidine-3-carboxamide
CID 115158760

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide (CID 115159469) is N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide is Cc1cc2c(cc1N(C)C(=O)C1CCNC1)OCO2.
What is the InChIKey of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is SLMFBACQWOFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-12-13(19-8-18-12)6-11(9)16(2)14(17)10-3-4-15-7-10/h5-6,10,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.30, 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-3-carboxamide is sourced from PubChem (CID 115159469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).