1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine

C27H41N3 — CID 155397034

IUPAC1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine
SMILESC1=C(N2CCCC2)CC(C2CCN(C3=CCC(C4CCN(C5=CCCC5)C4)C3)C2)C1
InChIInChI=1S/C27H41N3/c1-2-6-25(5-1)29-15-11-23(19-29)22-8-10-27(18-22)30-16-12-24(20-30)21-7-9-26(17-21)28-13-3-4-14-28/h5,9-10,21-24H,1-4,6-8,11-20H2
InChIKeyFZRDQLJOTVEOCH-UHFFFAOYSA-N
MW407.65 g/mol
LogP5.38
Rot. Bonds5

About 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine

1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine (PubChem CID 155397034) has the molecular formula C27H41N3 and a molecular weight of 407.65 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine
PubChem CID155397034
Molecular FormulaC27H41N3
Molecular Weight407.65 g/mol
Exact Mass407.33
IUPAC Name1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine
SMILESC1=C(N2CCCC2)CC(C2CCN(C3=CCC(C4CCN(C5=CCCC5)C4)C3)C2)C1
InChIInChI=1S/C27H41N3/c1-2-6-25(5-1)29-15-11-23(19-29)22-8-10-27(18-22)30-16-12-24(20-30)21-7-9-26(17-21)28-13-3-4-14-28/h5,9-10,21-24H,1-4,6-8,11-20H2
InChIKeyFZRDQLJOTVEOCH-UHFFFAOYSA-N
XLogP5.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.65
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine?
The IUPAC name of 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine (CID 155397034) is 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine is C1=C(N2CCCC2)CC(C2CCN(C3=CCC(C4CCN(C5=CCCC5)C4)C3)C2)C1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine?
The InChIKey is FZRDQLJOTVEOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3/c1-2-6-25(5-1)29-15-11-23(19-29)22-8-10-27(18-22)30-16-12-24(20-30)21-7-9-26(17-21)28-13-3-4-14-28/h5,9-10,21-24H,1-4,6-8,11-20H2.
What are the key properties of 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine?
1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine has a molecular weight of 407.65 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-[3-[3-(3-pyrrolidin-1-ylcyclopent-3-en-1-yl)pyrrolidin-1-yl]cyclopent-3-en-1-yl]pyrrolidine is sourced from PubChem (CID 155397034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).