3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

C14H23NSe — CID 102341995

IUPAC3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])N1CCCC1)C(C)(C)C=C
InChIInChI=1S/C14H23NSe/c1-5-9-12(14(3,4)6-2)13(16)15-10-7-8-11-15/h5-6,12H,1-2,7-11H2,3-4H3
InChIKeyKVPQAOZVBYFWMP-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.79
Rot. Bonds6

About 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone

3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (PubChem CID 102341995) has the molecular formula C14H23NSe and a molecular weight of 284.31 g/mol. Its IUPAC name is 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.

Molecular Properties

Compound Name3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
PubChem CID102341995
Molecular FormulaC14H23NSe
Molecular Weight284.31 g/mol
Exact Mass285.10
IUPAC Name3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCC(C(=[Se])N1CCCC1)C(C)(C)C=C
InChIInChI=1S/C14H23NSe/c1-5-9-12(14(3,4)6-2)13(16)15-10-7-8-11-15/h5-6,12H,1-2,7-11H2,3-4H3
InChIKeyKVPQAOZVBYFWMP-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.79
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 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The IUPAC name of 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone (CID 102341995) is 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone.
What is the SMILES notation for 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The canonical SMILES for 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is C=CCC(C(=[Se])N1CCCC1)C(C)(C)C=C.
What is the InChIKey of 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
The InChIKey is KVPQAOZVBYFWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NSe/c1-5-9-12(14(3,4)6-2)13(16)15-10-7-8-11-15/h5-6,12H,1-2,7-11H2,3-4H3.
What are the key properties of 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone?
3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone has a molecular weight of 284.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-prop-2-enyl-1-pyrrolidin-1-ylpent-4-ene-1-selone is sourced from PubChem (CID 102341995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).