1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol

C12H20N2O — CID 88905162

IUPAC1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol
SMILESC=C/C=C(CN1CCC(O)C1)\C(N)=C/C
InChIInChI=1S/C12H20N2O/c1-3-5-10(12(13)4-2)8-14-7-6-11(15)9-14/h3-5,11,15H,1,6-9,13H2,2H3/b10-5-,12-4+
InChIKeyTULZZBJKLHZTGN-LZCVDSOTSA-N
MW208.31 g/mol
LogP1.03
Rot. Bonds4

About 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol

1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol (PubChem CID 88905162) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol
PubChem CID88905162
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol
SMILESC=C/C=C(CN1CCC(O)C1)\C(N)=C/C
InChIInChI=1S/C12H20N2O/c1-3-5-10(12(13)4-2)8-14-7-6-11(15)9-14/h3-5,11,15H,1,6-9,13H2,2H3/b10-5-,12-4+
InChIKeyTULZZBJKLHZTGN-LZCVDSOTSA-N
XLogP1.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
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-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol (CID 88905162) is 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol is C=C/C=C(CN1CCC(O)C1)\C(N)=C/C.
What is the InChIKey of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol?
The InChIKey is TULZZBJKLHZTGN-LZCVDSOTSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-10(12(13)4-2)8-14-7-6-11(15)9-14/h3-5,11,15H,1,6-9,13H2,2H3/b10-5-,12-4+.
What are the key properties of 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol?
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol has a molecular weight of 208.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]pyrrolidin-3-ol is sourced from PubChem (CID 88905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).