ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one

C10H18N2O — CID 164595891

IUPACethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one
SMILESCC.CNCCC(=O)n1cccc1
InChIInChI=1S/C8H12N2O.C2H6/c1-9-5-4-8(11)10-6-2-3-7-10;1-2/h2-3,6-7,9H,4-5H2,1H3;1-2H3
InChIKeyKZDDUYKUEPKZRG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.76
Rot. Bonds3

About ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one

ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one (PubChem CID 164595891) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Nameethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one
PubChem CID164595891
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one
SMILESCC.CNCCC(=O)n1cccc1
InChIInChI=1S/C8H12N2O.C2H6/c1-9-5-4-8(11)10-6-2-3-7-10;1-2/h2-3,6-7,9H,4-5H2,1H3;1-2H3
InChIKeyKZDDUYKUEPKZRG-UHFFFAOYSA-N
XLogP1.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one
CID 176777495
2-(methylamino)-1-pyrrol-1-ylethanone
CID 141121778
4-(methylamino)-N-pyrrol-1-ylbutanamide
CID 79100656
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
3-(methylamino)propanoyl chloride
CID 21027253
3-(methylamino)propanethioic S-acid
CID 90252515
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one
CID 115559774
1-pyrrol-1-ylethanone
CID 521947
1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
CID 107219691
N-methyl-2-pyrrol-1-ylethanamine
CID 59730499
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
ethyl 3-(methylamino)propanoate;methane
CID 159702101

Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one?
The IUPAC name of ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one (CID 164595891) is ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one is CC.CNCCC(=O)n1cccc1.
What is the InChIKey of ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one?
The InChIKey is KZDDUYKUEPKZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-9-5-4-8(11)10-6-2-3-7-10;1-2/h2-3,6-7,9H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one?
ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one has a molecular weight of 182.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)-1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 164595891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).