1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone

C10H15NO2 — CID 43798789

IUPAC1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccn1C
InChIInChI=1S/C10H15NO2/c1-8(2)13-7-10(12)9-5-4-6-11(9)3/h4-6,8H,7H2,1-3H3
InChIKeyQCNITGAYIMUPJB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.63
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone

1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone (PubChem CID 43798789) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
PubChem CID43798789
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccn1C
InChIInChI=1S/C10H15NO2/c1-8(2)13-7-10(12)9-5-4-6-11(9)3/h4-6,8H,7H2,1-3H3
InChIKeyQCNITGAYIMUPJB-UHFFFAOYSA-N
XLogP1.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrrole-2-carbaldehyde
CID 14504
2-Acetyl-1-methylpyrrole
CID 61240
1-Ethyl-2-acetyl pyrrole
CID 61988
1-Ethyl-2-pyrrolecarboxaldehyde
CID 579338
1-(3-Methylbutyl)-1H-pyrrole-2-carbaldehyde
CID 20560333
ethyl 2-oxo-2-(1H-pyrrol-2-yl)acetate
CID 294762
3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile
CID 2777170
methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
CID 6472067
1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-ethanone
CID 11333223
2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone
CID 9118363
1-(1-ethenyl-1H-pyrrol-2-yl)ethan-1-one
CID 10678292
ethyl 3-(1-methyl-1H-pyrrol-2-yl)-3-oxopropanoate
CID 10352629

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone (CID 43798789) is 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1cccn1C.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone?
The InChIKey is QCNITGAYIMUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)13-7-10(12)9-5-4-6-11(9)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone?
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone has a molecular weight of 181.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 43798789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).