2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

C11H18N2O — CID 43795621

IUPAC2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCCN(C)CC(=O)c1ccn(C)c1
InChIInChI=1S/C11H18N2O/c1-4-6-12(2)9-11(14)10-5-7-13(3)8-10/h5,7-8H,4,6,9H2,1-3H3
InChIKeyVCRKPXJKVXTKCT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.55
Rot. Bonds5

About 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 43795621) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID43795621
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCCN(C)CC(=O)c1ccn(C)c1
InChIInChI=1S/C11H18N2O/c1-4-6-12(2)9-11(14)10-5-7-13(3)8-10/h5,7-8H,4,6,9H2,1-3H3
InChIKeyVCRKPXJKVXTKCT-UHFFFAOYSA-N
XLogP1.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62030742
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 63866776
2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55248864
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62037280
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 60681661
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 82951827
1-(1-methylpyrrol-3-yl)-2-methylsulfanylethanone
CID 61023628
3-(1-methylpyrrol-3-yl)-3-oxopropanal
CID 82467797

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 43795621) is 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is CCCN(C)CC(=O)c1ccn(C)c1.
What is the InChIKey of 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is VCRKPXJKVXTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-6-12(2)9-11(14)10-5-7-13(3)8-10/h5,7-8H,4,6,9H2,1-3H3.
What are the key properties of 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 194.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43795621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).