(2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine

C12H23N — CID 59610980

IUPAC(2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine
SMILESC=CC1C[C@@H](C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H23N/c1-6-11-7-12(9(2)3)13(8-11)10(4)5/h6,9-12H,1,7-8H2,2-5H3/t11?,12-/m0/s1
InChIKeyYACVORPUFFZTPB-KIYNQFGBSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds3

About (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine

(2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59610980) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59610980
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine
SMILESC=CC1C[C@@H](C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H23N/c1-6-11-7-12(9(2)3)13(8-11)10(4)5/h6,9-12H,1,7-8H2,2-5H3/t11?,12-/m0/s1
InChIKeyYACVORPUFFZTPB-KIYNQFGBSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
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 (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine (CID 59610980) is (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine is C=CC1C[C@@H](C(C)C)N(C(C)C)C1.
What is the InChIKey of (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is YACVORPUFFZTPB-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11-7-12(9(2)3)13(8-11)10(4)5/h6,9-12H,1,7-8H2,2-5H3/t11?,12-/m0/s1.
What are the key properties of (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine?
(2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethenyl-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59610980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).