2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one

C15H17NO2 — CID 114631704

IUPAC2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1CC(O)C1(C)C
InChIInChI=1S/C15H17NO2/c1-9-10-6-4-5-7-11(10)14(18)16(9)12-8-13(17)15(12,2)3/h4-7,12-13,17H,1,8H2,2-3H3
InChIKeyOIDMFMCGXFTIAT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.27
Rot. Bonds1

About 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one

2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one (PubChem CID 114631704) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one
PubChem CID114631704
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1CC(O)C1(C)C
InChIInChI=1S/C15H17NO2/c1-9-10-6-4-5-7-11(10)14(18)16(9)12-8-13(17)15(12,2)3/h4-7,12-13,17H,1,8H2,2-3H3
InChIKeyOIDMFMCGXFTIAT-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 82762983
3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
CID 79672188
2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one
CID 66194764
2-(2-methyl-2-trimethylsilylcyclopropyl)isoindole-1,3-dione
CID 90361347
2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 134465551
2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
CID 175743610
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[(1S,2S,7R)-3,4,5,6-tetrahydroxy-2-bicyclo[5.1.0]octanyl]isoindole-1,3-dione
CID 11186237
2-[(1R,2R,3S,4R,5R,6R,7S)-3,4,5,6-tetrahydroxy-2-bicyclo[5.1.0]octanyl]isoindole-1,3-dione
CID 122389302
2-[(1R,2R)-2-hydroxy-5-oxocyclohex-3-en-1-yl]isoindole-1,3-dione
CID 46914397
2-(4,4-dimethylcyclohex-2-en-1-yl)isoindole-1,3-dione
CID 70982125

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one?
The IUPAC name of 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one (CID 114631704) is 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one?
The canonical SMILES for 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one is C=C1c2ccccc2C(=O)N1C1CC(O)C1(C)C.
What is the InChIKey of 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one?
The InChIKey is OIDMFMCGXFTIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-10-6-4-5-7-11(10)14(18)16(9)12-8-13(17)15(12,2)3/h4-7,12-13,17H,1,8H2,2-3H3.
What are the key properties of 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one?
2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one is sourced from PubChem (CID 114631704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).