1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide

C11H16N2O3 — CID 91342193

IUPAC1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
SMILESCNC(=O)C1CCc2c(c(O)n(C)c2O)C1
InChIInChI=1S/C11H16N2O3/c1-12-9(14)6-3-4-7-8(5-6)11(16)13(2)10(7)15/h6,15-16H,3-5H2,1-2H3,(H,12,14)
InChIKeyBGPGEAAATBSEOL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.29
Rot. Bonds1

About 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide

1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide (PubChem CID 91342193) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
PubChem CID91342193
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
SMILESCNC(=O)C1CCc2c(c(O)n(C)c2O)C1
InChIInChI=1S/C11H16N2O3/c1-12-9(14)6-3-4-7-8(5-6)11(16)13(2)10(7)15/h6,15-16H,3-5H2,1-2H3,(H,12,14)
InChIKeyBGPGEAAATBSEOL-UHFFFAOYSA-N
XLogP0.29
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1,3-Dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)-2-methylideneoctanoic acid
CID 53699760
5-[acetyl(methyl)amino]-2-[(1-ethyl-2,5-dihydroxy-4-methylpyrrol-3-yl)methyl]-N,N-dimethylheptanamide
CID 53900236
4-(Dodecylamino)-2-(1-dodecyl-2,5-dihydroxy-4-tridecan-3-ylpyrrol-3-yl)-3-methyl-4-oxobutanoic acid
CID 54007392
4-(Dodecylamino)-2-[[1-dodecyl-4-(2-ethyldodecyl)-2,5-dihydroxypyrrol-3-yl]methyl]-3-methyl-4-oxobutanoic acid
CID 54154618
3,5-Dihydroxy-4,10-dimethyl-4,10-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-9,11-dione
CID 91141036
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide
CID 91143766
methyl N'-[3-[1,3-dihydroxy-7-methyl-2-[4-(methylamino)-4-oxobutyl]-4,5,6,7-tetrahydroisoindol-4-yl]propanoylamino]carbamimidate
CID 91169991
2,5-Dimethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91512803
1,3-dihydroxy-N-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole-5-carboxamide
CID 123543353
2-(1,3-dihydroxy-2-methyl-4,5,6,7-tetrahydroisoindol-5-yl)-N-methylacetamide
CID 123560319
2-(1-Carboxyethyl)-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxylic acid
CID 123925313

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The IUPAC name of 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide (CID 91342193) is 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The canonical SMILES for 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide is CNC(=O)C1CCc2c(c(O)n(C)c2O)C1.
What is the InChIKey of 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The InChIKey is BGPGEAAATBSEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-9(14)6-3-4-7-8(5-6)11(16)13(2)10(7)15/h6,15-16H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide?
1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-N,2-dimethyl-4,5,6,7-tetrahydroisoindole-5-carboxamide is sourced from PubChem (CID 91342193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).