1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone

C13H20N2O — CID 170595486

IUPAC1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone
SMILESC=C/C(N)=C(\C=C)CN1CCCC1C(C)=O
InChIInChI=1S/C13H20N2O/c1-4-11(12(14)5-2)9-15-8-6-7-13(15)10(3)16/h4-5,13H,1-2,6-9,14H2,3H3/b12-11-
InChIKeyIJDLJMKWYTWGKY-QXMHVHEDSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds5

About 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone

1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone (PubChem CID 170595486) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone
PubChem CID170595486
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone
SMILESC=C/C(N)=C(\C=C)CN1CCCC1C(C)=O
InChIInChI=1S/C13H20N2O/c1-4-11(12(14)5-2)9-15-8-6-7-13(15)10(3)16/h4-5,13H,1-2,6-9,14H2,3H3/b12-11-
InChIKeyIJDLJMKWYTWGKY-QXMHVHEDSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone (CID 170595486) is 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone is C=C/C(N)=C(\C=C)CN1CCCC1C(C)=O.
What is the InChIKey of 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone?
The InChIKey is IJDLJMKWYTWGKY-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11(12(14)5-2)9-15-8-6-7-13(15)10(3)16/h4-5,13H,1-2,6-9,14H2,3H3/b12-11-.
What are the key properties of 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone?
1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone has a molecular weight of 220.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2Z)-3-amino-2-ethenylpenta-2,4-dienyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 170595486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).