N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide

C8H11N3O — CID 66187212

IUPACN-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CNC1)c1ccc[nH]1
InChIInChI=1S/C8H11N3O/c12-8(7-2-1-3-10-7)11-6-4-9-5-6/h1-3,6,9-10H,4-5H2,(H,11,12)
InChIKeyQJUPXYLXHOSTAC-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.28
Rot. Bonds2

About N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide

N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 66187212) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID66187212
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CNC1)c1ccc[nH]1
InChIInChI=1S/C8H11N3O/c12-8(7-2-1-3-10-7)11-6-4-9-5-6/h1-3,6,9-10H,4-5H2,(H,11,12)
InChIKeyQJUPXYLXHOSTAC-UHFFFAOYSA-N
XLogP-0.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide (CID 66187212) is N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide is O=C(NC1CNC1)c1ccc[nH]1.
What is the InChIKey of N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is QJUPXYLXHOSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8(7-2-1-3-10-7)11-6-4-9-5-6/h1-3,6,9-10H,4-5H2,(H,11,12).
What are the key properties of N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide?
N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 165.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 66187212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).