2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

C12H21NO — CID 130913967

IUPAC2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(CC3CC3)CC2C1
InChIInChI=1S/C12H21NO/c14-12-4-3-10-7-13(6-9-1-2-9)8-11(10)5-12/h9-12,14H,1-8H2
InChIKeyAPSRCPULBNLJAI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds2

About 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 130913967) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID130913967
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(CC3CC3)CC2C1
InChIInChI=1S/C12H21NO/c14-12-4-3-10-7-13(6-9-1-2-9)8-11(10)5-12/h9-12,14H,1-8H2
InChIKeyAPSRCPULBNLJAI-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol with MolForge

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Related Compounds

Octahydro-1H-isoindol-5-OL
CID 53408677
5-Methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57672091
(3aS,7aR)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57979735
2-Phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 58885309
octahydro-1H-isoindol-5-ol hydrochloride
CID 74890071
Ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 91116481
(3aR,7aS)-rel-Octahydro-1H-isoindol-5-ol
CID 118705044
(3aR,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400034
(5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400255
(3aS,5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400259
(3aR,5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400264
(5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400308

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 130913967) is 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is OC1CCC2CN(CC3CC3)CC2C1.
What is the InChIKey of 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is APSRCPULBNLJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-4-3-10-7-13(6-9-1-2-9)8-11(10)5-12/h9-12,14H,1-8H2.
What are the key properties of 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 195.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 130913967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).