1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine

C21H23N — CID 142730750

IUPAC1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
SMILESC(#CC(CCc1ccccc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H23N/c1-3-9-19(10-4-1)13-15-21(22-17-7-8-18-22)16-14-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13,15,17-18H2
InChIKeyIOOIERDJDDQTCZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.14
Rot. Bonds4

About 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine

1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine (PubChem CID 142730750) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
PubChem CID142730750
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
SMILESC(#CC(CCc1ccccc1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H23N/c1-3-9-19(10-4-1)13-15-21(22-17-7-8-18-22)16-14-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13,15,17-18H2
InChIKeyIOOIERDJDDQTCZ-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
(3S)-1,5-diphenylpent-1-yn-3-ol
CID 54756336
[(3S)-3-(2-phenylethyl)pent-4-en-1-ynyl]benzene
CID 135061979
1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine
CID 3360864
1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
CID 101406137
2-morpholin-4-yl-4-phenylbutanenitrile
CID 15907702
1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine
CID 86079711
1-(1-phenoxy-3-phenylpropyl)piperidine
CID 57051930
4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexan-1-one
CID 66756268
1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
4-phenyl-1-piperidin-1-ylbutan-1-amine;dihydrochloride
CID 67607516
1-[[4-(2-phenylethynyl)phenyl]-piperidin-1-ylmethyl]piperidine
CID 71395677

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine?
The IUPAC name of 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine (CID 142730750) is 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine.
What is the SMILES notation for 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine?
The canonical SMILES for 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine is C(#CC(CCc1ccccc1)N1CCCC1)c1ccccc1.
What is the InChIKey of 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine?
The InChIKey is IOOIERDJDDQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-3-9-19(10-4-1)13-15-21(22-17-7-8-18-22)16-14-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13,15,17-18H2.
What are the key properties of 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine?
1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine has a molecular weight of 289.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine is sourced from PubChem (CID 142730750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).