2-pyrrolidin-1-ylazocine

C11H14N2 — CID 91200350

IUPAC2-pyrrolidin-1-ylazocine
SMILESC1=CC=C/C(N2CCCC2)=N\C=C1
InChIInChI=1S/C11H14N2/c1-2-4-8-12-11(7-3-1)13-9-5-6-10-13/h1-4,7-8H,5-6,9-10H2/b2-1?,3-1?,4-2?,7-3?,8-4?,11-7?,12-8?,12-11+
InChIKeyFVAQTJSVHVKRBH-QFMSBYHMSA-N
MW174.25 g/mol
LogP2.12
Rot. Bonds

About 2-pyrrolidin-1-ylazocine

2-pyrrolidin-1-ylazocine (PubChem CID 91200350) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylazocine.

Molecular Properties

Compound Name2-pyrrolidin-1-ylazocine
PubChem CID91200350
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-pyrrolidin-1-ylazocine
SMILESC1=CC=C/C(N2CCCC2)=N\C=C1
InChIInChI=1S/C11H14N2/c1-2-4-8-12-11(7-3-1)13-9-5-6-10-13/h1-4,7-8H,5-6,9-10H2/b2-1?,3-1?,4-2?,7-3?,8-4?,11-7?,12-8?,12-11+
InChIKeyFVAQTJSVHVKRBH-QFMSBYHMSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylazocine?
The IUPAC name of 2-pyrrolidin-1-ylazocine (CID 91200350) is 2-pyrrolidin-1-ylazocine.
What is the SMILES notation for 2-pyrrolidin-1-ylazocine?
The canonical SMILES for 2-pyrrolidin-1-ylazocine is C1=CC=C/C(N2CCCC2)=N\C=C1.
What is the InChIKey of 2-pyrrolidin-1-ylazocine?
The InChIKey is FVAQTJSVHVKRBH-QFMSBYHMSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-8-12-11(7-3-1)13-9-5-6-10-13/h1-4,7-8H,5-6,9-10H2/b2-1?,3-1?,4-2?,7-3?,8-4?,11-7?,12-8?,12-11+.
What are the key properties of 2-pyrrolidin-1-ylazocine?
2-pyrrolidin-1-ylazocine has a molecular weight of 174.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylazocine is sourced from PubChem (CID 91200350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).