2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide

C9H15N3O — CID 115157893

IUPAC2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESCCNCC(=O)NCc1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-2-10-7-9(13)12-6-8-4-3-5-11-8/h3-5,10-11H,2,6-7H2,1H3,(H,12,13)
InChIKeyWBGOQPYXJUQCQR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.24
Rot. Bonds5

About 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide

2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide (PubChem CID 115157893) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
PubChem CID115157893
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESCCNCC(=O)NCc1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-2-10-7-9(13)12-6-8-4-3-5-11-8/h3-5,10-11H,2,6-7H2,1H3,(H,12,13)
InChIKeyWBGOQPYXJUQCQR-UHFFFAOYSA-N
XLogP0.24
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpyrrole
CID 12489
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
1H-pyrrole-2-carboxamide
CID 573553
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
2-Ethylpyrrole
CID 137075
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
N-methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine
CID 10464479
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide (CID 115157893) is 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide is CCNCC(=O)NCc1ccc[nH]1.
What is the InChIKey of 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The InChIKey is WBGOQPYXJUQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-10-7-9(13)12-6-8-4-3-5-11-8/h3-5,10-11H,2,6-7H2,1H3,(H,12,13).
What are the key properties of 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide?
2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide is sourced from PubChem (CID 115157893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).