2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide

C8H9N3O — CID 106384971

IUPAC2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C8H9N3O/c9-3-1-8(12)11-6-7-2-4-10-5-7/h2,4-5,10H,1,6H2,(H,11,12)
InChIKeyPQWPAGPRVWMWMA-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.54
Rot. Bonds3

About 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide

2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106384971) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106384971
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C8H9N3O/c9-3-1-8(12)11-6-7-2-4-10-5-7/h2,4-5,10H,1,6H2,(H,11,12)
InChIKeyPQWPAGPRVWMWMA-UHFFFAOYSA-N
XLogP0.54
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
2-cyano-N-[(4-formylphenyl)methyl]acetamide
CID 88911411
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106384971) is 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide is N#CCC(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is PQWPAGPRVWMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-3-1-8(12)11-6-7-2-4-10-5-7/h2,4-5,10H,1,6H2,(H,11,12).
What are the key properties of 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 163.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106384971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).