5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole

C17H23N5 — CID 75451554

IUPAC5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole
SMILESCC(C)n1nnnc1CN1CCCC1/C=C/c1ccccc1
InChIInChI=1S/C17H23N5/c1-14(2)22-17(18-19-20-22)13-21-12-6-9-16(21)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3/b11-10+
InChIKeyPFLKQSSKVJNCEK-ZHACJKMWSA-N
MW297.41 g/mol
LogP2.93
Rot. Bonds5

About 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole

5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole (PubChem CID 75451554) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole.

Molecular Properties

Compound Name5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole
PubChem CID75451554
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole
SMILESCC(C)n1nnnc1CN1CCCC1/C=C/c1ccccc1
InChIInChI=1S/C17H23N5/c1-14(2)22-17(18-19-20-22)13-21-12-6-9-16(21)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3/b11-10+
InChIKeyPFLKQSSKVJNCEK-ZHACJKMWSA-N
XLogP2.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole?
The IUPAC name of 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole (CID 75451554) is 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole.
What is the SMILES notation for 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole?
The canonical SMILES for 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole is CC(C)n1nnnc1CN1CCCC1/C=C/c1ccccc1.
What is the InChIKey of 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole?
The InChIKey is PFLKQSSKVJNCEK-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H23N5/c1-14(2)22-17(18-19-20-22)13-21-12-6-9-16(21)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3/b11-10+.
What are the key properties of 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole?
5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole has a molecular weight of 297.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole is sourced from PubChem (CID 75451554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).