(3R)-3-prop-2-enoxypyrrolidine

C7H13NO — CID 26191819

IUPAC(3R)-3-prop-2-enoxypyrrolidine
SMILESC=CCO[C@@H]1CCNC1
InChIInChI=1S/C7H13NO/c1-2-5-9-7-3-4-8-6-7/h2,7-8H,1,3-6H2/t7-/m1/s1
InChIKeyUGFDHSFHFFLSTQ-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds3

About (3R)-3-prop-2-enoxypyrrolidine

(3R)-3-prop-2-enoxypyrrolidine (PubChem CID 26191819) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R)-3-prop-2-enoxypyrrolidine.

Molecular Properties

Compound Name(3R)-3-prop-2-enoxypyrrolidine
PubChem CID26191819
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R)-3-prop-2-enoxypyrrolidine
SMILESC=CCO[C@@H]1CCNC1
InChIInChI=1S/C7H13NO/c1-2-5-9-7-3-4-8-6-7/h2,7-8H,1,3-6H2/t7-/m1/s1
InChIKeyUGFDHSFHFFLSTQ-SSDOTTSWSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-prop-2-enoxypyrrolidine?
The IUPAC name of (3R)-3-prop-2-enoxypyrrolidine (CID 26191819) is (3R)-3-prop-2-enoxypyrrolidine.
What is the SMILES notation for (3R)-3-prop-2-enoxypyrrolidine?
The canonical SMILES for (3R)-3-prop-2-enoxypyrrolidine is C=CCO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-prop-2-enoxypyrrolidine?
The InChIKey is UGFDHSFHFFLSTQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-5-9-7-3-4-8-6-7/h2,7-8H,1,3-6H2/t7-/m1/s1.
What are the key properties of (3R)-3-prop-2-enoxypyrrolidine?
(3R)-3-prop-2-enoxypyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-prop-2-enoxypyrrolidine is sourced from PubChem (CID 26191819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).