(2S)-2-prop-1-en-2-ylpyrrolidine

C7H13N — CID 55299004

IUPAC(2S)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@@H]1CCCN1
InChIInChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySIZPICBNRSSAPD-ZETCQYMHSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds1

About (2S)-2-prop-1-en-2-ylpyrrolidine

(2S)-2-prop-1-en-2-ylpyrrolidine (PubChem CID 55299004) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2S)-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-prop-1-en-2-ylpyrrolidine
PubChem CID55299004
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2S)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@@H]1CCCN1
InChIInChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySIZPICBNRSSAPD-ZETCQYMHSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of (2S)-2-prop-1-en-2-ylpyrrolidine (CID 55299004) is (2S)-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for (2S)-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for (2S)-2-prop-1-en-2-ylpyrrolidine is C=C(C)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is SIZPICBNRSSAPD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h7-8H,1,3-5H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-2-prop-1-en-2-ylpyrrolidine?
(2S)-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 55299004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).