N-ethyl-2-(2-formylpyrrol-1-yl)acetamide

C9H12N2O2 — CID 66410312

IUPACN-ethyl-2-(2-formylpyrrol-1-yl)acetamide
SMILESCCNC(=O)Cn1cccc1C=O
InChIInChI=1S/C9H12N2O2/c1-2-10-9(13)6-11-5-3-4-8(11)7-12/h3-5,7H,2,6H2,1H3,(H,10,13)
InChIKeyVETSYANIHGKQRV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.44
Rot. Bonds4

About N-ethyl-2-(2-formylpyrrol-1-yl)acetamide

N-ethyl-2-(2-formylpyrrol-1-yl)acetamide (PubChem CID 66410312) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-ethyl-2-(2-formylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-formylpyrrol-1-yl)acetamide
PubChem CID66410312
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-ethyl-2-(2-formylpyrrol-1-yl)acetamide
SMILESCCNC(=O)Cn1cccc1C=O
InChIInChI=1S/C9H12N2O2/c1-2-10-9(13)6-11-5-3-4-8(11)7-12/h3-5,7H,2,6H2,1H3,(H,10,13)
InChIKeyVETSYANIHGKQRV-UHFFFAOYSA-N
XLogP0.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-formylpyrrol-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-formylpyrrol-1-yl)acetamide (CID 66410312) is N-ethyl-2-(2-formylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-formylpyrrol-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-formylpyrrol-1-yl)acetamide is CCNC(=O)Cn1cccc1C=O.
What is the InChIKey of N-ethyl-2-(2-formylpyrrol-1-yl)acetamide?
The InChIKey is VETSYANIHGKQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-10-9(13)6-11-5-3-4-8(11)7-12/h3-5,7H,2,6H2,1H3,(H,10,13).
What are the key properties of N-ethyl-2-(2-formylpyrrol-1-yl)acetamide?
N-ethyl-2-(2-formylpyrrol-1-yl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-formylpyrrol-1-yl)acetamide is sourced from PubChem (CID 66410312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).