3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one

C12H15NO2 — CID 91030977

IUPAC3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2c(C)cccc2C1O
InChIInChI=1S/C12H15NO2/c1-3-7-13-11(14)9-6-4-5-8(2)10(9)12(13)15/h4-6,11,14H,3,7H2,1-2H3
InChIKeyBTHVASQSGZXBNA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds2

About 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one

3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one (PubChem CID 91030977) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
PubChem CID91030977
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2c(C)cccc2C1O
InChIInChI=1S/C12H15NO2/c1-3-7-13-11(14)9-6-4-5-8(2)10(9)12(13)15/h4-6,11,14H,3,7H2,1-2H3
InChIKeyBTHVASQSGZXBNA-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropyl)-4-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448057
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
CID 7357026
(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
CID 7357027
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108652217
3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
CID 10658286
4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one
CID 123898317
4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 58222648
2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one
CID 175615672
(3R)-3-hydroxy-7-methoxy-2-methyl-3H-isoindol-1-one
CID 820535
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
3-hydroxy-2-[3-(2-methylphenyl)prop-2-enyl]-3H-isoindol-1-one
CID 123439146

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one (CID 91030977) is 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one is CCCN1C(=O)c2c(C)cccc2C1O.
What is the InChIKey of 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one?
The InChIKey is BTHVASQSGZXBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-13-11(14)9-6-4-5-8(2)10(9)12(13)15/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one?
3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 91030977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).