(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide

C16H22N2O2 — CID 103793972

IUPAC(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-11-20-14-8-6-13(7-9-14)12-18(2)16(19)15-5-4-10-17-15/h3,6-9,15,17H,1,4-5,10-12H2,2H3/t15-/m1/s1
InChIKeyXHDFNLHVMRLYJM-OAHLLOKOSA-N
MW274.36 g/mol
LogP1.96
Rot. Bonds6

About (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide

(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 103793972) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID103793972
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-11-20-14-8-6-13(7-9-14)12-18(2)16(19)15-5-4-10-17-15/h3,6-9,15,17H,1,4-5,10-12H2,2H3/t15-/m1/s1
InChIKeyXHDFNLHVMRLYJM-OAHLLOKOSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 103793972) is (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XHDFNLHVMRLYJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-20-14-8-6-13(7-9-14)12-18(2)16(19)15-5-4-10-17-15/h3,6-9,15,17H,1,4-5,10-12H2,2H3/t15-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103793972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).