N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

C13H18N2O3 — CID 970962

IUPACN-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C13H18N2O3/c1-17-11-6-5-10(9-12(11)18-2)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyHADUQTYHPKJXOZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.33
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 970962) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID970962
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C13H18N2O3/c1-17-11-6-5-10(9-12(11)18-2)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyHADUQTYHPKJXOZ-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 970962) is N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HADUQTYHPKJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-6-5-10(9-12(11)18-2)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 970962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).