1-(azetidin-3-yl)-2,3-dimethylidenepyrrole

C9H12N2 — CID 168939763

IUPAC1-(azetidin-3-yl)-2,3-dimethylidenepyrrole
SMILESC=c1ccn(C2CNC2)c1=C
InChIInChI=1S/C9H12N2/c1-7-3-4-11(8(7)2)9-5-10-6-9/h3-4,9-10H,1-2,5-6H2
InChIKeyGZTMZYKKIUPWEW-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.55
Rot. Bonds1

About 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole

1-(azetidin-3-yl)-2,3-dimethylidenepyrrole (PubChem CID 168939763) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2,3-dimethylidenepyrrole
PubChem CID168939763
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-(azetidin-3-yl)-2,3-dimethylidenepyrrole
SMILESC=c1ccn(C2CNC2)c1=C
InChIInChI=1S/C9H12N2/c1-7-3-4-11(8(7)2)9-5-10-6-9/h3-4,9-10H,1-2,5-6H2
InChIKeyGZTMZYKKIUPWEW-UHFFFAOYSA-N
XLogP-0.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole?
The IUPAC name of 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole (CID 168939763) is 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole.
What is the SMILES notation for 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole?
The canonical SMILES for 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole is C=c1ccn(C2CNC2)c1=C.
What is the InChIKey of 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole?
The InChIKey is GZTMZYKKIUPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-4-11(8(7)2)9-5-10-6-9/h3-4,9-10H,1-2,5-6H2.
What are the key properties of 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole?
1-(azetidin-3-yl)-2,3-dimethylidenepyrrole has a molecular weight of 148.21 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2,3-dimethylidenepyrrole is sourced from PubChem (CID 168939763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).