benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate

C19H26N2O3 — CID 6373779

IUPACbenzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1/C=C/CN1CCOCC1
InChIInChI=1S/C19H26N2O3/c22-19(24-16-17-6-2-1-3-7-17)21-11-5-9-18(21)8-4-10-20-12-14-23-15-13-20/h1-4,6-8,18H,5,9-16H2/b8-4+
InChIKeyVHSRKAKCXUMQQR-XBXARRHUSA-N
MW330.43 g/mol
LogP2.68
Rot. Bonds5

About benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate

benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate (PubChem CID 6373779) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate
PubChem CID6373779
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namebenzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1/C=C/CN1CCOCC1
InChIInChI=1S/C19H26N2O3/c22-19(24-16-17-6-2-1-3-7-17)21-11-5-9-18(21)8-4-10-20-12-14-23-15-13-20/h1-4,6-8,18H,5,9-16H2/b8-4+
InChIKeyVHSRKAKCXUMQQR-XBXARRHUSA-N
XLogP2.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate (CID 6373779) is benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC1/C=C/CN1CCOCC1.
What is the InChIKey of benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate?
The InChIKey is VHSRKAKCXUMQQR-XBXARRHUSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-19(24-16-17-6-2-1-3-7-17)21-11-5-9-18(21)8-4-10-20-12-14-23-15-13-20/h1-4,6-8,18H,5,9-16H2/b8-4+.
What are the key properties of benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate?
benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(E)-3-morpholin-4-ylprop-1-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 6373779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).