3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone

C19H31NSe — CID 102341992

IUPAC3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone
SMILESC=CCC(C(=[Se])N1CCCC1)C(C)(C=C)CCC=C(C)C
InChIInChI=1S/C19H31NSe/c1-6-11-17(18(21)20-14-8-9-15-20)19(5,7-2)13-10-12-16(3)4/h6-7,12,17H,1-2,8-11,13-15H2,3-5H3
InChIKeyJTNITINFQJBSSC-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.51
Rot. Bonds9

About 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone

3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone (PubChem CID 102341992) has the molecular formula C19H31NSe and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone.

Molecular Properties

Compound Name3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone
PubChem CID102341992
Molecular FormulaC19H31NSe
Molecular Weight352.42 g/mol
Exact Mass353.16
IUPAC Name3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone
SMILESC=CCC(C(=[Se])N1CCCC1)C(C)(C=C)CCC=C(C)C
InChIInChI=1S/C19H31NSe/c1-6-11-17(18(21)20-14-8-9-15-20)19(5,7-2)13-10-12-16(3)4/h6-7,12,17H,1-2,8-11,13-15H2,3-5H3
InChIKeyJTNITINFQJBSSC-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.51
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 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
The IUPAC name of 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone (CID 102341992) is 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone.
What is the SMILES notation for 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
The canonical SMILES for 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone is C=CCC(C(=[Se])N1CCCC1)C(C)(C=C)CCC=C(C)C.
What is the InChIKey of 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
The InChIKey is JTNITINFQJBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NSe/c1-6-11-17(18(21)20-14-8-9-15-20)19(5,7-2)13-10-12-16(3)4/h6-7,12,17H,1-2,8-11,13-15H2,3-5H3.
What are the key properties of 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone?
3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone has a molecular weight of 352.42 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,7-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-yloct-6-ene-1-selone is sourced from PubChem (CID 102341992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).