1-(azet-2-yl)pyrrolidine

C7H10N2 — CID 70555467

IUPAC1-(azet-2-yl)pyrrolidine
SMILESC1=CC(N2CCCC2)=N1
InChIInChI=1S/C7H10N2/c1-2-6-9(5-1)7-3-4-8-7/h3-4H,1-2,5-6H2
InChIKeyVWPOEVMPFYCLQV-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.01
Rot. Bonds

About 1-(azet-2-yl)pyrrolidine

1-(azet-2-yl)pyrrolidine (PubChem CID 70555467) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-(azet-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(azet-2-yl)pyrrolidine
PubChem CID70555467
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-(azet-2-yl)pyrrolidine
SMILESC1=CC(N2CCCC2)=N1
InChIInChI=1S/C7H10N2/c1-2-6-9(5-1)7-3-4-8-7/h3-4H,1-2,5-6H2
InChIKeyVWPOEVMPFYCLQV-UHFFFAOYSA-N
XLogP1.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azet-2-yl)pyrrolidine?
The IUPAC name of 1-(azet-2-yl)pyrrolidine (CID 70555467) is 1-(azet-2-yl)pyrrolidine.
What is the SMILES notation for 1-(azet-2-yl)pyrrolidine?
The canonical SMILES for 1-(azet-2-yl)pyrrolidine is C1=CC(N2CCCC2)=N1.
What is the InChIKey of 1-(azet-2-yl)pyrrolidine?
The InChIKey is VWPOEVMPFYCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-9(5-1)7-3-4-8-7/h3-4H,1-2,5-6H2.
What are the key properties of 1-(azet-2-yl)pyrrolidine?
1-(azet-2-yl)pyrrolidine has a molecular weight of 122.17 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azet-2-yl)pyrrolidine is sourced from PubChem (CID 70555467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).