2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone

C12H20N2O — CID 43226618

IUPAC2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCCCN(C)CC(=O)c1cccn1C
InChIInChI=1S/C12H20N2O/c1-4-5-8-13(2)10-12(15)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyRQJBDYWHNZTJSU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.94
Rot. Bonds6

About 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone

2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43226618) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43226618
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCCCN(C)CC(=O)c1cccn1C
InChIInChI=1S/C12H20N2O/c1-4-5-8-13(2)10-12(15)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyRQJBDYWHNZTJSU-UHFFFAOYSA-N
XLogP1.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone (CID 43226618) is 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone is CCCCN(C)CC(=O)c1cccn1C.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is RQJBDYWHNZTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-8-13(2)10-12(15)11-7-6-9-14(11)3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 208.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43226618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).