2-amino-1-propan-2-ylpyrrole-3-carboxamide

C8H13N3O — CID 117213755

IUPAC2-amino-1-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)n1ccc(C(N)=O)c1N
InChIInChI=1S/C8H13N3O/c1-5(2)11-4-3-6(7(11)9)8(10)12/h3-5H,9H2,1-2H3,(H2,10,12)
InChIKeyPTDIEIMPLDAYCY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds2

About 2-amino-1-propan-2-ylpyrrole-3-carboxamide

2-amino-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 117213755) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID117213755
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-1-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)n1ccc(C(N)=O)c1N
InChIInChI=1S/C8H13N3O/c1-5(2)11-4-3-6(7(11)9)8(10)12/h3-5H,9H2,1-2H3,(H2,10,12)
InChIKeyPTDIEIMPLDAYCY-UHFFFAOYSA-N
XLogP0.75
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2-amino-1-propan-2-ylpyrrole-3-carboxamide (CID 117213755) is 2-amino-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-amino-1-propan-2-ylpyrrole-3-carboxamide is CC(C)n1ccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is PTDIEIMPLDAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)11-4-3-6(7(11)9)8(10)12/h3-5H,9H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-1-propan-2-ylpyrrole-3-carboxamide?
2-amino-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 117213755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).