1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol

C11H20N2O — CID 89153873

IUPAC1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol
SMILESC=CCC(N)/C=C\CN1CCCC1O
InChIInChI=1S/C11H20N2O/c1-2-5-10(12)6-3-8-13-9-4-7-11(13)14/h2-3,6,10-11,14H,1,4-5,7-9,12H2/b6-3-
InChIKeyLVZNJNSBPIIQFE-UTCJRWHESA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds5

About 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol

1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol (PubChem CID 89153873) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol
PubChem CID89153873
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol
SMILESC=CCC(N)/C=C\CN1CCCC1O
InChIInChI=1S/C11H20N2O/c1-2-5-10(12)6-3-8-13-9-4-7-11(13)14/h2-3,6,10-11,14H,1,4-5,7-9,12H2/b6-3-
InChIKeyLVZNJNSBPIIQFE-UTCJRWHESA-N
XLogP0.86
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol?
The IUPAC name of 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol (CID 89153873) is 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol?
The canonical SMILES for 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol is C=CCC(N)/C=C\CN1CCCC1O.
What is the InChIKey of 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol?
The InChIKey is LVZNJNSBPIIQFE-UTCJRWHESA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-5-10(12)6-3-8-13-9-4-7-11(13)14/h2-3,6,10-11,14H,1,4-5,7-9,12H2/b6-3-.
What are the key properties of 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol?
1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol has a molecular weight of 196.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-4-aminohepta-2,6-dienyl]pyrrolidin-2-ol is sourced from PubChem (CID 89153873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).