3-ethenyl-4-propan-2-yloxypyrrolidine

C9H17NO — CID 67033590

IUPAC3-ethenyl-4-propan-2-yloxypyrrolidine
SMILESC=CC1CNCC1OC(C)C
InChIInChI=1S/C9H17NO/c1-4-8-5-10-6-9(8)11-7(2)3/h4,7-10H,1,5-6H2,2-3H3
InChIKeyCYUVVWBKSPDGON-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds3

About 3-ethenyl-4-propan-2-yloxypyrrolidine

3-ethenyl-4-propan-2-yloxypyrrolidine (PubChem CID 67033590) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-ethenyl-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name3-ethenyl-4-propan-2-yloxypyrrolidine
PubChem CID67033590
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-ethenyl-4-propan-2-yloxypyrrolidine
SMILESC=CC1CNCC1OC(C)C
InChIInChI=1S/C9H17NO/c1-4-8-5-10-6-9(8)11-7(2)3/h4,7-10H,1,5-6H2,2-3H3
InChIKeyCYUVVWBKSPDGON-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 139376303
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CID 18337175
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CID 19107607
CID 19107607
CID 53409327
CID 53409327
CID 68432199
CID 68432199
CID 68590860
CID 68590860
CID 70253325
CID 70253325
CID 139417949
CID 139417949
CID 141287490
CID 141287490
CID 141430837
CID 141430837
CID 142374710
CID 142374710
CID 167224673
CID 167224673

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-propan-2-yloxypyrrolidine?
The IUPAC name of 3-ethenyl-4-propan-2-yloxypyrrolidine (CID 67033590) is 3-ethenyl-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for 3-ethenyl-4-propan-2-yloxypyrrolidine?
The canonical SMILES for 3-ethenyl-4-propan-2-yloxypyrrolidine is C=CC1CNCC1OC(C)C.
What is the InChIKey of 3-ethenyl-4-propan-2-yloxypyrrolidine?
The InChIKey is CYUVVWBKSPDGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8-5-10-6-9(8)11-7(2)3/h4,7-10H,1,5-6H2,2-3H3.
What are the key properties of 3-ethenyl-4-propan-2-yloxypyrrolidine?
3-ethenyl-4-propan-2-yloxypyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 67033590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).