2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide

C8H13N3O — CID 66403097

IUPAC2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide
SMILESCNCc1cccn1CC(N)=O
InChIInChI=1S/C8H13N3O/c1-10-5-7-3-2-4-11(7)6-8(9)12/h2-4,10H,5-6H2,1H3,(H2,9,12)
InChIKeyRKIKFUDFDCNHCP-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.31
Rot. Bonds4

About 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide

2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66403097) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66403097
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide
SMILESCNCc1cccn1CC(N)=O
InChIInChI=1S/C8H13N3O/c1-10-5-7-3-2-4-11(7)6-8(9)12/h2-4,10H,5-6H2,1H3,(H2,9,12)
InChIKeyRKIKFUDFDCNHCP-UHFFFAOYSA-N
XLogP-0.31
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide (CID 66403097) is 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide is CNCc1cccn1CC(N)=O.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is RKIKFUDFDCNHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-5-7-3-2-4-11(7)6-8(9)12/h2-4,10H,5-6H2,1H3,(H2,9,12).
What are the key properties of 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide?
2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 167.21 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66403097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).