3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one

C10H16N2O — CID 82280815

IUPAC3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one
SMILESCNC(C(=O)c1cc[nH]c1)C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)9(11-3)10(13)8-4-5-12-6-8/h4-7,9,11-12H,1-3H3
InChIKeyQSJLPZULJIJCKR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.44
Rot. Bonds4

About 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one

3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one (PubChem CID 82280815) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one
PubChem CID82280815
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one
SMILESCNC(C(=O)c1cc[nH]c1)C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)9(11-3)10(13)8-4-5-12-6-8/h4-7,9,11-12H,1-3H3
InChIKeyQSJLPZULJIJCKR-UHFFFAOYSA-N
XLogP1.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-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

1-[4-(dimethylamino)phenyl]-3-methyl-2-(methylamino)butan-1-one
CID 143056091
(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
CID 83617800
1-(4-ethoxyphenyl)-3-methyl-2-(methylamino)butan-1-one
CID 112512233
ethane;methyl 1H-pyrrole-3-carboxylate
CID 169144888
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110691119
2-(1H-pyrrole-3-carbonyl)butanamide
CID 91294080
2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one
CID 116918724
N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
CID 131176905
1H-pyrrole-3-carboxylate
CID 7021181
(3S)-3-azaniumyl-4-oxo-4-(1H-pyrrol-3-yl)butanoate
CID 27282509
1H-pyrrole-3-carboxamide;hydrochloride
CID 57435535

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one?
The IUPAC name of 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one (CID 82280815) is 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one.
What is the SMILES notation for 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one?
The canonical SMILES for 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one is CNC(C(=O)c1cc[nH]c1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one?
The InChIKey is QSJLPZULJIJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)9(11-3)10(13)8-4-5-12-6-8/h4-7,9,11-12H,1-3H3.
What are the key properties of 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one?
3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)butan-1-one is sourced from PubChem (CID 82280815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).