ethane;2-methyl-3H-isoindol-1-one;propane

C14H23NO — CID 171626915

IUPACethane;2-methyl-3H-isoindol-1-one;propane
SMILESCC.CCC.CN1Cc2ccccc2C1=O
InChIInChI=1S/C9H9NO.C3H8.C2H6/c1-10-6-7-4-2-3-5-8(7)9(10)11;1-3-2;1-2/h2-5H,6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyMPWMUIRQQHFXMK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.71
Rot. Bonds

About ethane;2-methyl-3H-isoindol-1-one;propane

ethane;2-methyl-3H-isoindol-1-one;propane (PubChem CID 171626915) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;2-methyl-3H-isoindol-1-one;propane.

Molecular Properties

Compound Nameethane;2-methyl-3H-isoindol-1-one;propane
PubChem CID171626915
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;2-methyl-3H-isoindol-1-one;propane
SMILESCC.CCC.CN1Cc2ccccc2C1=O
InChIInChI=1S/C9H9NO.C3H8.C2H6/c1-10-6-7-4-2-3-5-8(7)9(10)11;1-3-2;1-2/h2-5H,6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyMPWMUIRQQHFXMK-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-3H-isoindol-1-one;propane 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

CID 167712207
CID 167712207
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
2-butan-2-yl-3H-isoindol-1-one;ethane
CID 177036147
2-nonyl-3H-isoindol-1-one
CID 132543397
7-methyl-7,10-diazatetracyclo[8.7.1.05,18.012,17]octadeca-1(18),2,4,12,14,16-hexaene-6,9-dione
CID 101264986
2-stannyl-3H-isoindol-1-one
CID 151195244
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
2-bromo-3H-isoindol-1-one
CID 86611253
2-(2-methylpentan-2-yl)-3H-isoindol-1-one
CID 142695069
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475
5-methyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-6-one
CID 117016011

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3H-isoindol-1-one;propane?
The IUPAC name of ethane;2-methyl-3H-isoindol-1-one;propane (CID 171626915) is ethane;2-methyl-3H-isoindol-1-one;propane.
What is the SMILES notation for ethane;2-methyl-3H-isoindol-1-one;propane?
The canonical SMILES for ethane;2-methyl-3H-isoindol-1-one;propane is CC.CCC.CN1Cc2ccccc2C1=O.
What is the InChIKey of ethane;2-methyl-3H-isoindol-1-one;propane?
The InChIKey is MPWMUIRQQHFXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C3H8.C2H6/c1-10-6-7-4-2-3-5-8(7)9(10)11;1-3-2;1-2/h2-5H,6H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-3H-isoindol-1-one;propane?
ethane;2-methyl-3H-isoindol-1-one;propane has a molecular weight of 221.34 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3H-isoindol-1-one;propane is sourced from PubChem (CID 171626915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).