(2S)-2-prop-2-enylpyrrolidine

C7H13N — CID 13283820

IUPAC(2S)-2-prop-2-enylpyrrolidine
SMILESC=CC[C@@H]1CCCN1
InChIInChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/t7-/m1/s1
InChIKeyNVQFTQHETVOVON-SSDOTTSWSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds2

About (2S)-2-prop-2-enylpyrrolidine

(2S)-2-prop-2-enylpyrrolidine (PubChem CID 13283820) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2S)-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-prop-2-enylpyrrolidine
PubChem CID13283820
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2S)-2-prop-2-enylpyrrolidine
SMILESC=CC[C@@H]1CCCN1
InChIInChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/t7-/m1/s1
InChIKeyNVQFTQHETVOVON-SSDOTTSWSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-2-enylpyrrolidine?
The IUPAC name of (2S)-2-prop-2-enylpyrrolidine (CID 13283820) is (2S)-2-prop-2-enylpyrrolidine.
What is the SMILES notation for (2S)-2-prop-2-enylpyrrolidine?
The canonical SMILES for (2S)-2-prop-2-enylpyrrolidine is C=CC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-prop-2-enylpyrrolidine?
The InChIKey is NVQFTQHETVOVON-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/t7-/m1/s1.
What are the key properties of (2S)-2-prop-2-enylpyrrolidine?
(2S)-2-prop-2-enylpyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 13283820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).