4-amino-N-pyrrol-1-ylbutanamide

C8H13N3O — CID 19973214

IUPAC4-amino-N-pyrrol-1-ylbutanamide
SMILESNCCCC(=O)Nn1cccc1
InChIInChI=1S/C8H13N3O/c9-5-3-4-8(12)10-11-6-1-2-7-11/h1-2,6-7H,3-5,9H2,(H,10,12)
InChIKeyTYWWSBIVBFVKTB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.30
Rot. Bonds4

About 4-amino-N-pyrrol-1-ylbutanamide

4-amino-N-pyrrol-1-ylbutanamide (PubChem CID 19973214) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-pyrrol-1-ylbutanamide
PubChem CID19973214
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-N-pyrrol-1-ylbutanamide
SMILESNCCCC(=O)Nn1cccc1
InChIInChI=1S/C8H13N3O/c9-5-3-4-8(12)10-11-6-1-2-7-11/h1-2,6-7H,3-5,9H2,(H,10,12)
InChIKeyTYWWSBIVBFVKTB-UHFFFAOYSA-N
XLogP0.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyrrol-1-ylbutanamide?
The IUPAC name of 4-amino-N-pyrrol-1-ylbutanamide (CID 19973214) is 4-amino-N-pyrrol-1-ylbutanamide.
What is the SMILES notation for 4-amino-N-pyrrol-1-ylbutanamide?
The canonical SMILES for 4-amino-N-pyrrol-1-ylbutanamide is NCCCC(=O)Nn1cccc1.
What is the InChIKey of 4-amino-N-pyrrol-1-ylbutanamide?
The InChIKey is TYWWSBIVBFVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-5-3-4-8(12)10-11-6-1-2-7-11/h1-2,6-7H,3-5,9H2,(H,10,12).
What are the key properties of 4-amino-N-pyrrol-1-ylbutanamide?
4-amino-N-pyrrol-1-ylbutanamide has a molecular weight of 167.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 19973214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).