2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide

C11H15N3O — CID 114652625

IUPAC2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cccc1C#N
InChIInChI=1S/C11H15N3O/c1-9(2)7-13-11(15)8-14-5-3-4-10(14)6-12/h3-5,9H,7-8H2,1-2H3,(H,13,15)
InChIKeyVTFJOTGHABVTSN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.13
Rot. Bonds4

About 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide

2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 114652625) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID114652625
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cccc1C#N
InChIInChI=1S/C11H15N3O/c1-9(2)7-13-11(15)8-14-5-3-4-10(14)6-12/h3-5,9H,7-8H2,1-2H3,(H,13,15)
InChIKeyVTFJOTGHABVTSN-UHFFFAOYSA-N
XLogP1.13
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652623
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315
N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652595
2-(3-amino-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
CID 62101797
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646877
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114653142

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide (CID 114652625) is 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1cccc1C#N.
What is the InChIKey of 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is VTFJOTGHABVTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)7-13-11(15)8-14-5-3-4-10(14)6-12/h3-5,9H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide?
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 114652625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).