2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone

C11H18N2O — CID 43795802

IUPAC2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCCC(C)N(C)CC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-4-9(2)13(3)8-11(14)10-6-5-7-12-10/h5-7,9,12H,4,8H2,1-3H3
InChIKeyBDGWDWCMHRWFNX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.93
Rot. Bonds5

About 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone

2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 43795802) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID43795802
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCCC(C)N(C)CC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N2O/c1-4-9(2)13(3)8-11(14)10-6-5-7-12-10/h5-7,9,12H,4,8H2,1-3H3
InChIKeyBDGWDWCMHRWFNX-UHFFFAOYSA-N
XLogP1.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43433568
2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 43219598
2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 115611827
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 113426284
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide
CID 77144700
2-[2-methoxyethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 61036387
2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 63956842
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
2-phenyl-1-(1H-pyrrol-2-yl)butan-1-one
CID 63748008
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 54943540
2-[cyclopropylmethyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60649803

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 43795802) is 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone is CCC(C)N(C)CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is BDGWDWCMHRWFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9(2)13(3)8-11(14)10-6-5-7-12-10/h5-7,9,12H,4,8H2,1-3H3.
What are the key properties of 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 194.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43795802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).