N-ethyl-2-pyrrol-1-ylpropanamide

C9H14N2O — CID 61478012

IUPACN-ethyl-2-pyrrol-1-ylpropanamide
SMILESCCNC(=O)C(C)n1cccc1
InChIInChI=1S/C9H14N2O/c1-3-10-9(12)8(2)11-6-4-5-7-11/h4-8H,3H2,1-2H3,(H,10,12)
InChIKeyKUFBEPNCTPAJKV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.19
Rot. Bonds3

About N-ethyl-2-pyrrol-1-ylpropanamide

N-ethyl-2-pyrrol-1-ylpropanamide (PubChem CID 61478012) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-pyrrol-1-ylpropanamide
PubChem CID61478012
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethyl-2-pyrrol-1-ylpropanamide
SMILESCCNC(=O)C(C)n1cccc1
InChIInChI=1S/C9H14N2O/c1-3-10-9(12)8(2)11-6-4-5-7-11/h4-8H,3H2,1-2H3,(H,10,12)
InChIKeyKUFBEPNCTPAJKV-UHFFFAOYSA-N
XLogP1.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
N-ethyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide
CID 61480396
2-(4-aminotriazol-2-yl)-N-ethylpropanamide
CID 165480792
2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
CID 165472875
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 102548566
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
CID 143855700
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-ethyl-2-pyrrol-1-ylpropanamide (CID 61478012) is N-ethyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-ethyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-ethyl-2-pyrrol-1-ylpropanamide is CCNC(=O)C(C)n1cccc1.
What is the InChIKey of N-ethyl-2-pyrrol-1-ylpropanamide?
The InChIKey is KUFBEPNCTPAJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-10-9(12)8(2)11-6-4-5-7-11/h4-8H,3H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-2-pyrrol-1-ylpropanamide?
N-ethyl-2-pyrrol-1-ylpropanamide has a molecular weight of 166.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 61478012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).