7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol

C9H13NO — CID 59453139

IUPAC7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol
SMILESCC1=CC(O)=CC2CNCC12
InChIInChI=1S/C9H13NO/c1-6-2-8(11)3-7-4-10-5-9(6)7/h2-3,7,9-11H,4-5H2,1H3
InChIKeyUMNMMTLLYUWWDI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.22
Rot. Bonds

About 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol

7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol (PubChem CID 59453139) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol.

Molecular Properties

Compound Name7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol
PubChem CID59453139
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol
SMILESCC1=CC(O)=CC2CNCC12
InChIInChI=1S/C9H13NO/c1-6-2-8(11)3-7-4-10-5-9(6)7/h2-3,7,9-11H,4-5H2,1H3
InChIKeyUMNMMTLLYUWWDI-UHFFFAOYSA-N
XLogP1.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol?
The IUPAC name of 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol (CID 59453139) is 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol.
What is the SMILES notation for 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol?
The canonical SMILES for 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol is CC1=CC(O)=CC2CNCC12.
What is the InChIKey of 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol?
The InChIKey is UMNMMTLLYUWWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-2-8(11)3-7-4-10-5-9(6)7/h2-3,7,9-11H,4-5H2,1H3.
What are the key properties of 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol?
7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol has a molecular weight of 151.21 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,3a,7a-tetrahydro-1H-isoindol-5-ol is sourced from PubChem (CID 59453139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).