4-(methylamino)-N-pyrrol-1-ylbutanamide

C9H15N3O — CID 79100656

IUPAC4-(methylamino)-N-pyrrol-1-ylbutanamide
SMILESCNCCCC(=O)Nn1cccc1
InChIInChI=1S/C9H15N3O/c1-10-6-4-5-9(13)11-12-7-2-3-8-12/h2-3,7-8,10H,4-6H2,1H3,(H,11,13)
InChIKeySJTDEZBTOHBQKU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds5

About 4-(methylamino)-N-pyrrol-1-ylbutanamide

4-(methylamino)-N-pyrrol-1-ylbutanamide (PubChem CID 79100656) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(methylamino)-N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name4-(methylamino)-N-pyrrol-1-ylbutanamide
PubChem CID79100656
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(methylamino)-N-pyrrol-1-ylbutanamide
SMILESCNCCCC(=O)Nn1cccc1
InChIInChI=1S/C9H15N3O/c1-10-6-4-5-9(13)11-12-7-2-3-8-12/h2-3,7-8,10H,4-6H2,1H3,(H,11,13)
InChIKeySJTDEZBTOHBQKU-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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Related Compounds

4-(propan-2-ylamino)-N-pyrrol-1-ylbutanamide
CID 79101182
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
3-oxo-N-pyrrol-1-ylpropanamide
CID 175709956
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-pyrrol-1-ylbutanamide?
The IUPAC name of 4-(methylamino)-N-pyrrol-1-ylbutanamide (CID 79100656) is 4-(methylamino)-N-pyrrol-1-ylbutanamide.
What is the SMILES notation for 4-(methylamino)-N-pyrrol-1-ylbutanamide?
The canonical SMILES for 4-(methylamino)-N-pyrrol-1-ylbutanamide is CNCCCC(=O)Nn1cccc1.
What is the InChIKey of 4-(methylamino)-N-pyrrol-1-ylbutanamide?
The InChIKey is SJTDEZBTOHBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-6-4-5-9(13)11-12-7-2-3-8-12/h2-3,7-8,10H,4-6H2,1H3,(H,11,13).
What are the key properties of 4-(methylamino)-N-pyrrol-1-ylbutanamide?
4-(methylamino)-N-pyrrol-1-ylbutanamide 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 4-(methylamino)-N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 79100656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).