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

C10H17N3O — CID 66407532

IUPAC2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C10H17N3O/c1-2-4-12-10(14)8-13-5-3-9(6-11)7-13/h3,5,7H,2,4,6,8,11H2,1H3,(H,12,14)
InChIKeyMUAQWGHVZICOJV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.47
Rot. Bonds5

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

2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide (PubChem CID 66407532) 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-propylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
PubChem CID66407532
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C10H17N3O/c1-2-4-12-10(14)8-13-5-3-9(6-11)7-13/h3,5,7H,2,4,6,8,11H2,1H3,(H,12,14)
InChIKeyMUAQWGHVZICOJV-UHFFFAOYSA-N
XLogP0.47
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
2-(3-acetylpyrrol-1-yl)-N-propylacetamide
CID 79107025
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734
2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
CID 66408410
N-butyl-2-(3-formylpyrrol-1-yl)acetamide
CID 66409664
1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66406984

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide (CID 66407532) is 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1ccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide?
The InChIKey is MUAQWGHVZICOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-4-12-10(14)8-13-5-3-9(6-11)7-13/h3,5,7H,2,4,6,8,11H2,1H3,(H,12,14).
What are the key properties of 2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide?
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide has a molecular weight of 195.27 g/mol, XLogP of 0.47, 5 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-propylacetamide is sourced from PubChem (CID 66407532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).