3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide

C9H15N3O — CID 143832117

IUPAC3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide
SMILESNCCC(=O)NCCC1=NC=CC1
InChIInChI=1S/C9H15N3O/c10-5-3-9(13)12-7-4-8-2-1-6-11-8/h1,6H,2-5,7,10H2,(H,12,13)
InChIKeyWOWRLTRRMUDCDI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.20
Rot. Bonds5

About 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide

3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide (PubChem CID 143832117) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide
PubChem CID143832117
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide
SMILESNCCC(=O)NCCC1=NC=CC1
InChIInChI=1S/C9H15N3O/c10-5-3-9(13)12-7-4-8-2-1-6-11-8/h1,6H,2-5,7,10H2,(H,12,13)
InChIKeyWOWRLTRRMUDCDI-UHFFFAOYSA-N
XLogP0.20
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3H-pyrrole-2-carboxamide
CID 58190011
N-(3,4-dihydropyridin-2-ylmethyl)acetamide
CID 126633453
2,2-dimethyl-N-(3H-pyrrol-2-ylmethyl)propanamide
CID 159935625
N-(4-aminocyclohexyl)-3H-pyrrole-2-carboxamide
CID 161777819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide (CID 143832117) is 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide is NCCC(=O)NCCC1=NC=CC1.
What is the InChIKey of 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide?
The InChIKey is WOWRLTRRMUDCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-3-9(13)12-7-4-8-2-1-6-11-8/h1,6H,2-5,7,10H2,(H,12,13).
What are the key properties of 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide?
3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3H-pyrrol-2-yl)ethyl]propanamide is sourced from PubChem (CID 143832117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).