4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

C11H17N3O2 — CID 134450659

IUPAC4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)C)n(C)c1
InChIInChI=1S/C11H17N3O2/c1-7(2)12-11(16)10-5-9(6-14(10)4)13-8(3)15/h5-7H,1-4H3,(H,12,16)(H,13,15)
InChIKeyIUXPZAFUUORAKM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.12
Rot. Bonds3

About 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide

4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 134450659) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID134450659
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)C)n(C)c1
InChIInChI=1S/C11H17N3O2/c1-7(2)12-11(16)10-5-9(6-14(10)4)13-8(3)15/h5-7H,1-4H3,(H,12,16)(H,13,15)
InChIKeyIUXPZAFUUORAKM-UHFFFAOYSA-N
XLogP1.12
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide (CID 134450659) is 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)C)n(C)c1.
What is the InChIKey of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is IUXPZAFUUORAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)12-11(16)10-5-9(6-14(10)4)13-8(3)15/h5-7H,1-4H3,(H,12,16)(H,13,15).
What are the key properties of 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide?
4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 134450659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).