2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide

C14H23N3O — CID 66404151

IUPAC2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)7-16-14(18)10-17-6-5-12(9-17)8-15-13-3-4-13/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyWIKVGBFCNBPQSG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.51
Rot. Bonds7

About 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide

2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 66404151) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID66404151
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)7-16-14(18)10-17-6-5-12(9-17)8-15-13-3-4-13/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyWIKVGBFCNBPQSG-UHFFFAOYSA-N
XLogP1.51
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide (CID 66404151) is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1ccc(CNC2CC2)c1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is WIKVGBFCNBPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)7-16-14(18)10-17-6-5-12(9-17)8-15-13-3-4-13/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66404151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).