2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide

C9H15N3O — CID 82490710

IUPAC2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CN)c1ccn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(11-9(13)5-10)8-3-4-12(2)6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)
InChIKeyWHYCWDDMSXVFSB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide

2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide (PubChem CID 82490710) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide
PubChem CID82490710
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CN)c1ccn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(11-9(13)5-10)8-3-4-12(2)6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)
InChIKeyWHYCWDDMSXVFSB-UHFFFAOYSA-N
XLogP0.16
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10631169
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CID 81364080
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CID 82413332
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
CID 54861871
4-[1-(1-methylpyrrol-3-yl)ethylcarbamoyl]-3-(trifluoromethyl)benzoic acid
CID 167817555
N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
CID 82280376
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid
CID 82468283
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide (CID 82490710) is 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide is CC(NC(=O)CN)c1ccn(C)c1.
What is the InChIKey of 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide?
The InChIKey is WHYCWDDMSXVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(11-9(13)5-10)8-3-4-12(2)6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13).
What are the key properties of 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide?
2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 82490710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).