[(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate

C10H17NO2 — CID 142872430

IUPAC[(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate
SMILESC/C=C(\C)CN1CC[C@@H](OC=O)C1
InChIInChI=1S/C10H17NO2/c1-3-9(2)6-11-5-4-10(7-11)13-8-12/h3,8,10H,4-7H2,1-2H3/b9-3+/t10-/m1/s1
InChIKeyGNJCYOFOAXQXLU-OTVCUZDGSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds4

About [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate

[(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate (PubChem CID 142872430) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate.

Molecular Properties

Compound Name[(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate
PubChem CID142872430
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate
SMILESC/C=C(\C)CN1CC[C@@H](OC=O)C1
InChIInChI=1S/C10H17NO2/c1-3-9(2)6-11-5-4-10(7-11)13-8-12/h3,8,10H,4-7H2,1-2H3/b9-3+/t10-/m1/s1
InChIKeyGNJCYOFOAXQXLU-OTVCUZDGSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate?
The IUPAC name of [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate (CID 142872430) is [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate.
What is the SMILES notation for [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate?
The canonical SMILES for [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate is C/C=C(\C)CN1CC[C@@H](OC=O)C1.
What is the InChIKey of [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate?
The InChIKey is GNJCYOFOAXQXLU-OTVCUZDGSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-9(2)6-11-5-4-10(7-11)13-8-12/h3,8,10H,4-7H2,1-2H3/b9-3+/t10-/m1/s1.
What are the key properties of [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate?
[(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate has a molecular weight of 183.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl] formate is sourced from PubChem (CID 142872430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).