3-(ethylamino)-N-pyrrol-1-ylpropanamide

C9H15N3O — CID 79100027

IUPAC3-(ethylamino)-N-pyrrol-1-ylpropanamide
SMILESCCNCCC(=O)Nn1cccc1
InChIInChI=1S/C9H15N3O/c1-2-10-6-5-9(13)11-12-7-3-4-8-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,11,13)
InChIKeyJDEFCJCZRPWROU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds5

About 3-(ethylamino)-N-pyrrol-1-ylpropanamide

3-(ethylamino)-N-pyrrol-1-ylpropanamide (PubChem CID 79100027) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(ethylamino)-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-pyrrol-1-ylpropanamide
PubChem CID79100027
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(ethylamino)-N-pyrrol-1-ylpropanamide
SMILESCCNCCC(=O)Nn1cccc1
InChIInChI=1S/C9H15N3O/c1-2-10-6-5-9(13)11-12-7-3-4-8-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,11,13)
InChIKeyJDEFCJCZRPWROU-UHFFFAOYSA-N
XLogP0.56
TPSA46.06 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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(ethylamino)-N-pyrrol-1-ylpropanamide (CID 79100027) is 3-(ethylamino)-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-pyrrol-1-ylpropanamide is CCNCCC(=O)Nn1cccc1.
What is the InChIKey of 3-(ethylamino)-N-pyrrol-1-ylpropanamide?
The InChIKey is JDEFCJCZRPWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-10-6-5-9(13)11-12-7-3-4-8-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,11,13).
What are the key properties of 3-(ethylamino)-N-pyrrol-1-ylpropanamide?
3-(ethylamino)-N-pyrrol-1-ylpropanamide has a molecular weight of 181.24 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 79100027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).