N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide

C15H21N3O — CID 116817169

IUPACN-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCN(C(=O)Cc1ccc[nH]1)C1CCC(CC#N)CC1
InChIInChI=1S/C15H21N3O/c1-18(15(19)11-13-3-2-10-17-13)14-6-4-12(5-7-14)8-9-16/h2-3,10,12,14,17H,4-8,11H2,1H3
InChIKeyFHOGOWVKASWPQM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.49
Rot. Bonds4

About N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide

N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 116817169) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide
PubChem CID116817169
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCN(C(=O)Cc1ccc[nH]1)C1CCC(CC#N)CC1
InChIInChI=1S/C15H21N3O/c1-18(15(19)11-13-3-2-10-17-13)14-6-4-12(5-7-14)8-9-16/h2-3,10,12,14,17H,4-8,11H2,1H3
InChIKeyFHOGOWVKASWPQM-UHFFFAOYSA-N
XLogP2.49
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide (CID 116817169) is N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide is CN(C(=O)Cc1ccc[nH]1)C1CCC(CC#N)CC1.
What is the InChIKey of N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is FHOGOWVKASWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(15(19)11-13-3-2-10-17-13)14-6-4-12(5-7-14)8-9-16/h2-3,10,12,14,17H,4-8,11H2,1H3.
What are the key properties of N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 116817169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).