N-ethyl-N-(1H-pyrrol-3-yl)propanamide

C9H14N2O — CID 90359208

IUPACN-ethyl-N-(1H-pyrrol-3-yl)propanamide
SMILESCCC(=O)N(CC)c1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-3-9(12)11(4-2)8-5-6-10-7-8/h5-7,10H,3-4H2,1-2H3
InChIKeyCLXDOFKOMYTFOH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.78
Rot. Bonds3

About N-ethyl-N-(1H-pyrrol-3-yl)propanamide

N-ethyl-N-(1H-pyrrol-3-yl)propanamide (PubChem CID 90359208) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethyl-N-(1H-pyrrol-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(1H-pyrrol-3-yl)propanamide
PubChem CID90359208
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethyl-N-(1H-pyrrol-3-yl)propanamide
SMILESCCC(=O)N(CC)c1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-3-9(12)11(4-2)8-5-6-10-7-8/h5-7,10H,3-4H2,1-2H3
InChIKeyCLXDOFKOMYTFOH-UHFFFAOYSA-N
XLogP1.78
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-pyrrol-3-yl)propanamide?
The IUPAC name of N-ethyl-N-(1H-pyrrol-3-yl)propanamide (CID 90359208) is N-ethyl-N-(1H-pyrrol-3-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(1H-pyrrol-3-yl)propanamide?
The canonical SMILES for N-ethyl-N-(1H-pyrrol-3-yl)propanamide is CCC(=O)N(CC)c1cc[nH]c1.
What is the InChIKey of N-ethyl-N-(1H-pyrrol-3-yl)propanamide?
The InChIKey is CLXDOFKOMYTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-9(12)11(4-2)8-5-6-10-7-8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(1H-pyrrol-3-yl)propanamide?
N-ethyl-N-(1H-pyrrol-3-yl)propanamide has a molecular weight of 166.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-pyrrol-3-yl)propanamide is sourced from PubChem (CID 90359208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).