(2S)-2-propylpyrrolidin-1-ium

C7H16N+ — CID 7141585

IUPAC(2S)-2-propylpyrrolidin-1-ium
SMILESCCC[C@H]1CCC[NH2+]1
InChIInChI=1S/C7H15N/c1-2-4-7-5-3-6-8-7/h7-8H,2-6H2,1H3/p+1/t7-/m0/s1
InChIKeyICALDHCMXFGLBN-ZETCQYMHSA-O
MW114.21 g/mol
LogP0.51
Rot. Bonds2

About (2S)-2-propylpyrrolidin-1-ium

(2S)-2-propylpyrrolidin-1-ium (PubChem CID 7141585) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is (2S)-2-propylpyrrolidin-1-ium.

Molecular Properties

Compound Name(2S)-2-propylpyrrolidin-1-ium
PubChem CID7141585
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name(2S)-2-propylpyrrolidin-1-ium
SMILESCCC[C@H]1CCC[NH2+]1
InChIInChI=1S/C7H15N/c1-2-4-7-5-3-6-8-7/h7-8H,2-6H2,1H3/p+1/t7-/m0/s1
InChIKeyICALDHCMXFGLBN-ZETCQYMHSA-O
XLogP0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propylpyrrolidin-1-ium?
The IUPAC name of (2S)-2-propylpyrrolidin-1-ium (CID 7141585) is (2S)-2-propylpyrrolidin-1-ium.
What is the SMILES notation for (2S)-2-propylpyrrolidin-1-ium?
The canonical SMILES for (2S)-2-propylpyrrolidin-1-ium is CCC[C@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-2-propylpyrrolidin-1-ium?
The InChIKey is ICALDHCMXFGLBN-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H15N/c1-2-4-7-5-3-6-8-7/h7-8H,2-6H2,1H3/p+1/t7-/m0/s1.
What are the key properties of (2S)-2-propylpyrrolidin-1-ium?
(2S)-2-propylpyrrolidin-1-ium has a molecular weight of 114.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propylpyrrolidin-1-ium is sourced from PubChem (CID 7141585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).