7-amino-N-pyrrol-1-ylheptanamide

C11H19N3O — CID 79100022

IUPAC7-amino-N-pyrrol-1-ylheptanamide
SMILESNCCCCCCC(=O)Nn1cccc1
InChIInChI=1S/C11H19N3O/c12-8-4-2-1-3-7-11(15)13-14-9-5-6-10-14/h5-6,9-10H,1-4,7-8,12H2,(H,13,15)
InChIKeyDIICGTYRZAPVBO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds7

About 7-amino-N-pyrrol-1-ylheptanamide

7-amino-N-pyrrol-1-ylheptanamide (PubChem CID 79100022) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 7-amino-N-pyrrol-1-ylheptanamide.

Molecular Properties

Compound Name7-amino-N-pyrrol-1-ylheptanamide
PubChem CID79100022
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name7-amino-N-pyrrol-1-ylheptanamide
SMILESNCCCCCCC(=O)Nn1cccc1
InChIInChI=1S/C11H19N3O/c12-8-4-2-1-3-7-11(15)13-14-9-5-6-10-14/h5-6,9-10H,1-4,7-8,12H2,(H,13,15)
InChIKeyDIICGTYRZAPVBO-UHFFFAOYSA-N
XLogP1.47
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
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 7-amino-N-pyrrol-1-ylheptanamide?
The IUPAC name of 7-amino-N-pyrrol-1-ylheptanamide (CID 79100022) is 7-amino-N-pyrrol-1-ylheptanamide.
What is the SMILES notation for 7-amino-N-pyrrol-1-ylheptanamide?
The canonical SMILES for 7-amino-N-pyrrol-1-ylheptanamide is NCCCCCCC(=O)Nn1cccc1.
What is the InChIKey of 7-amino-N-pyrrol-1-ylheptanamide?
The InChIKey is DIICGTYRZAPVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-8-4-2-1-3-7-11(15)13-14-9-5-6-10-14/h5-6,9-10H,1-4,7-8,12H2,(H,13,15).
What are the key properties of 7-amino-N-pyrrol-1-ylheptanamide?
7-amino-N-pyrrol-1-ylheptanamide has a molecular weight of 209.29 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-pyrrol-1-ylheptanamide is sourced from PubChem (CID 79100022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).