ethane;3-methyl-4-pyridin-2-ylbutan-2-one

C14H25NO — CID 177154285

IUPACethane;3-methyl-4-pyridin-2-ylbutan-2-one
SMILESCC.CC.CC(=O)C(C)Cc1ccccn1
InChIInChI=1S/C10H13NO.2C2H6/c1-8(9(2)12)7-10-5-3-4-6-11-10;2*1-2/h3-6,8H,7H2,1-2H3;2*1-2H3
InChIKeyYOIJBLCUSHPEQG-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.90
Rot. Bonds3

About ethane;3-methyl-4-pyridin-2-ylbutan-2-one

ethane;3-methyl-4-pyridin-2-ylbutan-2-one (PubChem CID 177154285) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;3-methyl-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Nameethane;3-methyl-4-pyridin-2-ylbutan-2-one
PubChem CID177154285
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;3-methyl-4-pyridin-2-ylbutan-2-one
SMILESCC.CC.CC(=O)C(C)Cc1ccccn1
InChIInChI=1S/C10H13NO.2C2H6/c1-8(9(2)12)7-10-5-3-4-6-11-10;2*1-2/h3-6,8H,7H2,1-2H3;2*1-2H3
InChIKeyYOIJBLCUSHPEQG-UHFFFAOYSA-N
XLogP3.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-methyl-4-pyridin-2-ylbutan-2-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-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum
CID 87206612
ethane;2-ethylpyridine;propan-2-one
CID 91062133
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
acetic acid;2-ethylpyridine
CID 70072313
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-pyridin-2-ylbutan-2-one?
The IUPAC name of ethane;3-methyl-4-pyridin-2-ylbutan-2-one (CID 177154285) is ethane;3-methyl-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for ethane;3-methyl-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for ethane;3-methyl-4-pyridin-2-ylbutan-2-one is CC.CC.CC(=O)C(C)Cc1ccccn1.
What is the InChIKey of ethane;3-methyl-4-pyridin-2-ylbutan-2-one?
The InChIKey is YOIJBLCUSHPEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2C2H6/c1-8(9(2)12)7-10-5-3-4-6-11-10;2*1-2/h3-6,8H,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-4-pyridin-2-ylbutan-2-one?
ethane;3-methyl-4-pyridin-2-ylbutan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 177154285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).