1-(cyclopenten-1-yl)pyrrolidin-1-ium

C9H16N+ — CID 6993639

IUPAC1-(cyclopenten-1-yl)pyrrolidin-1-ium
SMILESC1=C([NH+]2CCCC2)CCC1
InChIInChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2/p+1
InChIKeyKOFSFYBXUYHNJL-UHFFFAOYSA-O
MW138.23 g/mol
LogP0.73
Rot. Bonds1

About 1-(cyclopenten-1-yl)pyrrolidin-1-ium

1-(cyclopenten-1-yl)pyrrolidin-1-ium (PubChem CID 6993639) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)pyrrolidin-1-ium
PubChem CID6993639
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1-(cyclopenten-1-yl)pyrrolidin-1-ium
SMILESC1=C([NH+]2CCCC2)CCC1
InChIInChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2/p+1
InChIKeyKOFSFYBXUYHNJL-UHFFFAOYSA-O
XLogP0.73
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)pyrrolidin-1-ium?
The IUPAC name of 1-(cyclopenten-1-yl)pyrrolidin-1-ium (CID 6993639) is 1-(cyclopenten-1-yl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(cyclopenten-1-yl)pyrrolidin-1-ium?
The canonical SMILES for 1-(cyclopenten-1-yl)pyrrolidin-1-ium is C1=C([NH+]2CCCC2)CCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)pyrrolidin-1-ium?
The InChIKey is KOFSFYBXUYHNJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2/p+1.
What are the key properties of 1-(cyclopenten-1-yl)pyrrolidin-1-ium?
1-(cyclopenten-1-yl)pyrrolidin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)pyrrolidin-1-ium is sourced from PubChem (CID 6993639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).