2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide

C8H13N3O — CID 116850119

IUPAC2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCN(C)C(=O)C(N)c1ccc[nH]1
InChIInChI=1S/C8H13N3O/c1-11(2)8(12)7(9)6-4-3-5-10-6/h3-5,7,10H,9H2,1-2H3
InChIKeyQGJPEHBVDWHBLL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.10
Rot. Bonds2

About 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide

2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 116850119) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
PubChem CID116850119
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCN(C)C(=O)C(N)c1ccc[nH]1
InChIInChI=1S/C8H13N3O/c1-11(2)8(12)7(9)6-4-3-5-10-6/h3-5,7,10H,9H2,1-2H3
InChIKeyQGJPEHBVDWHBLL-UHFFFAOYSA-N
XLogP0.10
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
CID 130621343
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
CID 83528987
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate
CID 171240215
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
2-(dimethylamino)-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84758225
(E)-4-(dimethylamino)-4-(1H-pyrrol-2-yl)but-2-enoic acid
CID 116910754
methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide (CID 116850119) is 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide is CN(C)C(=O)C(N)c1ccc[nH]1.
What is the InChIKey of 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is QGJPEHBVDWHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(2)8(12)7(9)6-4-3-5-10-6/h3-5,7,10H,9H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide?
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 116850119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).