2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one

C9H14N2O — CID 116918724

IUPAC2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-9(2,10-3)8(12)7-4-5-11-6-7/h4-6,10-11H,1-3H3
InChIKeyIDKUDRKPXSQIMG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds3

About 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one

2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one (PubChem CID 116918724) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one
PubChem CID116918724
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-9(2,10-3)8(12)7-4-5-11-6-7/h4-6,10-11H,1-3H3
InChIKeyIDKUDRKPXSQIMG-UHFFFAOYSA-N
XLogP1.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one (CID 116918724) is 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one is CNC(C)(C)C(=O)c1cc[nH]c1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one?
The InChIKey is IDKUDRKPXSQIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,10-3)8(12)7-4-5-11-6-7/h4-6,10-11H,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one?
2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 116918724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).