2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide

C11H13N3O — CID 114653142

IUPAC2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cccc1C#N)C1CC1
InChIInChI=1S/C11H13N3O/c1-13(9-4-5-9)11(15)8-14-6-2-3-10(14)7-12/h2-3,6,9H,4-5,8H2,1H3
InChIKeyVNGUGQXNXICBGF-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.98
Rot. Bonds3

About 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide

2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 114653142) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID114653142
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cccc1C#N)C1CC1
InChIInChI=1S/C11H13N3O/c1-13(9-4-5-9)11(15)8-14-6-2-3-10(14)7-12/h2-3,6,9H,4-5,8H2,1H3
InChIKeyVNGUGQXNXICBGF-UHFFFAOYSA-N
XLogP0.98
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide (CID 114653142) is 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cccc1C#N)C1CC1.
What is the InChIKey of 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is VNGUGQXNXICBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13(9-4-5-9)11(15)8-14-6-2-3-10(14)7-12/h2-3,6,9H,4-5,8H2,1H3.
What are the key properties of 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 203.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 114653142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).