(2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

C11H19NSe — CID 15415999

IUPAC(2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=C[C@H](C)[C@H](C)C(=[Se])N1CCCC1
InChIInChI=1S/C11H19NSe/c1-4-9(2)10(3)11(13)12-7-5-6-8-12/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeySCHUHBKOOLTTBL-UWVGGRQHSA-N
MW244.24 g/mol
LogP1.84
Rot. Bonds4

About (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

(2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (PubChem CID 15415999) has the molecular formula C11H19NSe and a molecular weight of 244.24 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
PubChem CID15415999
Molecular FormulaC11H19NSe
Molecular Weight244.24 g/mol
Exact Mass245.07
IUPAC Name(2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=C[C@H](C)[C@H](C)C(=[Se])N1CCCC1
InChIInChI=1S/C11H19NSe/c1-4-9(2)10(3)11(13)12-7-5-6-8-12/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeySCHUHBKOOLTTBL-UWVGGRQHSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The IUPAC name of (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (CID 15415999) is (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is C=C[C@H](C)[C@H](C)C(=[Se])N1CCCC1.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The InChIKey is SCHUHBKOOLTTBL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19NSe/c1-4-9(2)10(3)11(13)12-7-5-6-8-12/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
(2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone has a molecular weight of 244.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is sourced from PubChem (CID 15415999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).