(2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone

C17H29NSe — CID 15415997

IUPAC(2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone
SMILESC=C[C@](C)(CCC=C(C)C)[C@H](C)C(=[Se])N1CCCC1
InChIInChI=1S/C17H29NSe/c1-6-17(5,11-9-10-14(2)3)15(4)16(19)18-12-7-8-13-18/h6,10,15H,1,7-9,11-13H2,2-5H3/t15-,17-/m1/s1
InChIKeyVAUGUYCNAXWJEQ-NVXWUHKLSA-N
MW326.39 g/mol
LogP3.96
Rot. Bonds7

About (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone

(2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone (PubChem CID 15415997) has the molecular formula C17H29NSe and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone.

Molecular Properties

Compound Name(2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone
PubChem CID15415997
Molecular FormulaC17H29NSe
Molecular Weight326.39 g/mol
Exact Mass327.15
IUPAC Name(2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone
SMILESC=C[C@](C)(CCC=C(C)C)[C@H](C)C(=[Se])N1CCCC1
InChIInChI=1S/C17H29NSe/c1-6-17(5,11-9-10-14(2)3)15(4)16(19)18-12-7-8-13-18/h6,10,15H,1,7-9,11-13H2,2-5H3/t15-,17-/m1/s1
InChIKeyVAUGUYCNAXWJEQ-NVXWUHKLSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.96
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)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
The IUPAC name of (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone (CID 15415997) is (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone.
What is the SMILES notation for (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
The canonical SMILES for (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone is C=C[C@](C)(CCC=C(C)C)[C@H](C)C(=[Se])N1CCCC1.
What is the InChIKey of (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
The InChIKey is VAUGUYCNAXWJEQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H29NSe/c1-6-17(5,11-9-10-14(2)3)15(4)16(19)18-12-7-8-13-18/h6,10,15H,1,7-9,11-13H2,2-5H3/t15-,17-/m1/s1.
What are the key properties of (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
(2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone has a molecular weight of 326.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethenyl-2,3,7-trimethyl-1-pyrrolidin-1-yloct-6-ene-1-selone is sourced from PubChem (CID 15415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).