(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide

C19H26N2O2 — CID 124737397

IUPAC(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
SMILESC=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-13(2)18-15(10-12-23-18)19(22)20-16-9-11-21(3)17(16)14-7-5-4-6-8-14/h4-8,15-18H,1,9-12H2,2-3H3,(H,20,22)/t15-,16+,17+,18-/m1/s1
InChIKeyPRNWPQPDKWEYGS-VSZNYVQBSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds4

About (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide

(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide (PubChem CID 124737397) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
PubChem CID124737397
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
SMILESC=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-13(2)18-15(10-12-23-18)19(22)20-16-9-11-21(3)17(16)14-7-5-4-6-8-14/h4-8,15-18H,1,9-12H2,2-3H3,(H,20,22)/t15-,16+,17+,18-/m1/s1
InChIKeyPRNWPQPDKWEYGS-VSZNYVQBSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.53
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 (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide (CID 124737397) is (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide is C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
The InChIKey is PRNWPQPDKWEYGS-VSZNYVQBSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)18-15(10-12-23-18)19(22)20-16-9-11-21(3)17(16)14-7-5-4-6-8-14/h4-8,15-18H,1,9-12H2,2-3H3,(H,20,22)/t15-,16+,17+,18-/m1/s1.
What are the key properties of (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide is sourced from PubChem (CID 124737397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).