2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide

C10H17N3O — CID 66407322

IUPAC2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C10H17N3O/c1-8(2)12-10(14)7-13-4-3-9(5-11)6-13/h3-4,6,8H,5,7,11H2,1-2H3,(H,12,14)
InChIKeyXZEQIXONAWYRJB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.47
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide

2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66407322) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
PubChem CID66407322
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C10H17N3O/c1-8(2)12-10(14)7-13-4-3-9(5-11)6-13/h3-4,6,8H,5,7,11H2,1-2H3,(H,12,14)
InChIKeyXZEQIXONAWYRJB-UHFFFAOYSA-N
XLogP0.47
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide (CID 66407322) is 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is XZEQIXONAWYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)12-10(14)7-13-4-3-9(5-11)6-13/h3-4,6,8H,5,7,11H2,1-2H3,(H,12,14).
What are the key properties of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 195.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66407322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).