(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol

C8H16N2O — CID 150775198

IUPAC(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
SMILESNC/C=C/CN1CC[C@@H](O)C1
InChIInChI=1S/C8H16N2O/c9-4-1-2-5-10-6-3-8(11)7-10/h1-2,8,11H,3-7,9H2/b2-1+/t8-/m1/s1
InChIKeyKASIANCUJLIUHI-FHKCNRDCSA-N
MW156.23 g/mol
LogP-0.43
Rot. Bonds3

About (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol

(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol (PubChem CID 150775198) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
PubChem CID150775198
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
SMILESNC/C=C/CN1CC[C@@H](O)C1
InChIInChI=1S/C8H16N2O/c9-4-1-2-5-10-6-3-8(11)7-10/h1-2,8,11H,3-7,9H2/b2-1+/t8-/m1/s1
InChIKeyKASIANCUJLIUHI-FHKCNRDCSA-N
XLogP-0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.43
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 (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol (CID 150775198) is (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol is NC/C=C/CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol?
The InChIKey is KASIANCUJLIUHI-FHKCNRDCSA-N. The full InChI is InChI=1S/C8H16N2O/c9-4-1-2-5-10-6-3-8(11)7-10/h1-2,8,11H,3-7,9H2/b2-1+/t8-/m1/s1.
What are the key properties of (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol?
(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 150775198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).