(2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide

C18H32N2O — CID 154981427

IUPAC(2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide
SMILESC=C(NC(=O)[C@H]1CCCN1C)C1(C)[C@H](C)C(C)C(C)[C@@H]1C
InChIInChI=1S/C18H32N2O/c1-11-12(2)14(4)18(6,13(11)3)15(5)19-17(21)16-9-8-10-20(16)7/h11-14,16H,5,8-10H2,1-4,6-7H3,(H,19,21)/t11?,12?,13-,14+,16-,18?/m1/s1
InChIKeyMEGSFUHMPGEYNH-LSELAVJVSA-N
MW292.47 g/mol
LogP3.27
Rot. Bonds3

About (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide

(2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide (PubChem CID 154981427) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide
PubChem CID154981427
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide
SMILESC=C(NC(=O)[C@H]1CCCN1C)C1(C)[C@H](C)C(C)C(C)[C@@H]1C
InChIInChI=1S/C18H32N2O/c1-11-12(2)14(4)18(6,13(11)3)15(5)19-17(21)16-9-8-10-20(16)7/h11-14,16H,5,8-10H2,1-4,6-7H3,(H,19,21)/t11?,12?,13-,14+,16-,18?/m1/s1
InChIKeyMEGSFUHMPGEYNH-LSELAVJVSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide (CID 154981427) is (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide is C=C(NC(=O)[C@H]1CCCN1C)C1(C)[C@H](C)C(C)C(C)[C@@H]1C.
What is the InChIKey of (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide?
The InChIKey is MEGSFUHMPGEYNH-LSELAVJVSA-N. The full InChI is InChI=1S/C18H32N2O/c1-11-12(2)14(4)18(6,13(11)3)15(5)19-17(21)16-9-8-10-20(16)7/h11-14,16H,5,8-10H2,1-4,6-7H3,(H,19,21)/t11?,12?,13-,14+,16-,18?/m1/s1.
What are the key properties of (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide?
(2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-N-[1-[(2S,5R)-1,2,3,4,5-pentamethylcyclopentyl]ethenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154981427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).