(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine

C20H22N2O3 — CID 10882308

IUPAC(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/[N+](=O)[O-]
InChIInChI=1S/C20H22N2O3/c1-25-20(17-9-4-2-5-10-17,18-11-6-3-7-12-18)19-13-8-14-21(19)15-16-22(23)24/h2-7,9-12,15-16,19H,8,13-14H2,1H3/b16-15+/t19-/m0/s1
InChIKeyCCYVRDYAEDJRRD-VVLLFNJHSA-N
MW338.41 g/mol
LogP3.79
Rot. Bonds6

About (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine

(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine (PubChem CID 10882308) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine
PubChem CID10882308
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/[N+](=O)[O-]
InChIInChI=1S/C20H22N2O3/c1-25-20(17-9-4-2-5-10-17,18-11-6-3-7-12-18)19-13-8-14-21(19)15-16-22(23)24/h2-7,9-12,15-16,19H,8,13-14H2,1H3/b16-15+/t19-/m0/s1
InChIKeyCCYVRDYAEDJRRD-VVLLFNJHSA-N
XLogP3.79
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine?
The IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine (CID 10882308) is (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine?
The canonical SMILES for (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/[N+](=O)[O-].
What is the InChIKey of (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine?
The InChIKey is CCYVRDYAEDJRRD-VVLLFNJHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-20(17-9-4-2-5-10-17,18-11-6-3-7-12-18)19-13-8-14-21(19)15-16-22(23)24/h2-7,9-12,15-16,19H,8,13-14H2,1H3/b16-15+/t19-/m0/s1.
What are the key properties of (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine?
(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine has a molecular weight of 338.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine is sourced from PubChem (CID 10882308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).