2-methyl-N-(1-methylpyrrol-3-yl)nonanamide

C15H26N2O — CID 57138776

IUPAC2-methyl-N-(1-methylpyrrol-3-yl)nonanamide
SMILESCCCCCCCC(C)C(=O)Nc1ccn(C)c1
InChIInChI=1S/C15H26N2O/c1-4-5-6-7-8-9-13(2)15(18)16-14-10-11-17(3)12-14/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyKZAZJJXVHQECIB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.96
Rot. Bonds8

About 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide

2-methyl-N-(1-methylpyrrol-3-yl)nonanamide (PubChem CID 57138776) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrrol-3-yl)nonanamide
PubChem CID57138776
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methyl-N-(1-methylpyrrol-3-yl)nonanamide
SMILESCCCCCCCC(C)C(=O)Nc1ccn(C)c1
InChIInChI=1S/C15H26N2O/c1-4-5-6-7-8-9-13(2)15(18)16-14-10-11-17(3)12-14/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyKZAZJJXVHQECIB-UHFFFAOYSA-N
XLogP3.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide?
The IUPAC name of 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide (CID 57138776) is 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide is CCCCCCCC(C)C(=O)Nc1ccn(C)c1.
What is the InChIKey of 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide?
The InChIKey is KZAZJJXVHQECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-6-7-8-9-13(2)15(18)16-14-10-11-17(3)12-14/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide?
2-methyl-N-(1-methylpyrrol-3-yl)nonanamide has a molecular weight of 250.39 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrrol-3-yl)nonanamide is sourced from PubChem (CID 57138776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).