1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide

C12H15N3O — CID 115183346

IUPAC1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C12H15N3O/c1-15(8-10-4-2-7-14-10)11(16)12(9-13)5-3-6-12/h2,4,7,14H,3,5-6,8H2,1H3
InChIKeyALWNZZPXBOYYBW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds3

About 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide

1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 115183346) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID115183346
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C12H15N3O/c1-15(8-10-4-2-7-14-10)11(16)12(9-13)5-3-6-12/h2,4,7,14H,3,5-6,8H2,1H3
InChIKeyALWNZZPXBOYYBW-UHFFFAOYSA-N
XLogP1.67
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide (CID 115183346) is 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1ccc[nH]1)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is ALWNZZPXBOYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(8-10-4-2-7-14-10)11(16)12(9-13)5-3-6-12/h2,4,7,14H,3,5-6,8H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).