(2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine

C10H17N — CID 170049974

IUPAC(2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine
SMILESC=CC[C@H]1C[C@@H](C)N(C=C)C1
InChIInChI=1S/C10H17N/c1-4-6-10-7-9(3)11(5-2)8-10/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10+/m1/s1
InChIKeyUIGGEVRSJXXDED-ZJUUUORDSA-N
MW151.25 g/mol
LogP2.42
Rot. Bonds3

About (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine

(2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine (PubChem CID 170049974) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine
PubChem CID170049974
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine
SMILESC=CC[C@H]1C[C@@H](C)N(C=C)C1
InChIInChI=1S/C10H17N/c1-4-6-10-7-9(3)11(5-2)8-10/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10+/m1/s1
InChIKeyUIGGEVRSJXXDED-ZJUUUORDSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
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 (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine?
The IUPAC name of (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine (CID 170049974) is (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine.
What is the SMILES notation for (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine?
The canonical SMILES for (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine is C=CC[C@H]1C[C@@H](C)N(C=C)C1.
What is the InChIKey of (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine?
The InChIKey is UIGGEVRSJXXDED-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-10-7-9(3)11(5-2)8-10/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10+/m1/s1.
What are the key properties of (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine?
(2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-ethenyl-2-methyl-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 170049974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).