3-hept-6-enoxypyrrolidine

C11H21NO — CID 107007703

IUPAC3-hept-6-enoxypyrrolidine
SMILESC=CCCCCCOC1CCNC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-9-13-11-7-8-12-10-11/h2,11-12H,1,3-10H2
InChIKeyFGMVPUJJGQBLGM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds7

About 3-hept-6-enoxypyrrolidine

3-hept-6-enoxypyrrolidine (PubChem CID 107007703) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-hept-6-enoxypyrrolidine.

Molecular Properties

Compound Name3-hept-6-enoxypyrrolidine
PubChem CID107007703
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-hept-6-enoxypyrrolidine
SMILESC=CCCCCCOC1CCNC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-9-13-11-7-8-12-10-11/h2,11-12H,1,3-10H2
InChIKeyFGMVPUJJGQBLGM-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enoxypyrrolidine?
The IUPAC name of 3-hept-6-enoxypyrrolidine (CID 107007703) is 3-hept-6-enoxypyrrolidine.
What is the SMILES notation for 3-hept-6-enoxypyrrolidine?
The canonical SMILES for 3-hept-6-enoxypyrrolidine is C=CCCCCCOC1CCNC1.
What is the InChIKey of 3-hept-6-enoxypyrrolidine?
The InChIKey is FGMVPUJJGQBLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-6-9-13-11-7-8-12-10-11/h2,11-12H,1,3-10H2.
What are the key properties of 3-hept-6-enoxypyrrolidine?
3-hept-6-enoxypyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enoxypyrrolidine is sourced from PubChem (CID 107007703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).