2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C18H25NO2 — CID 115561358

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N1CC3CCCC3C1)CC2
InChIInChI=1S/C18H25NO2/c1-21-15-7-5-12-6-8-17(18(20)16(12)9-15)19-10-13-3-2-4-14(13)11-19/h5,7,9,13-14,17-18,20H,2-4,6,8,10-11H2,1H3
InChIKeyVFRJSYWTAJIUIY-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.78
Rot. Bonds2

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115561358) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115561358
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(N1CC3CCCC3C1)CC2
InChIInChI=1S/C18H25NO2/c1-21-15-7-5-12-6-8-17(18(20)16(12)9-15)19-10-13-3-2-4-14(13)11-19/h5,7,9,13-14,17-18,20H,2-4,6,8,10-11H2,1H3
InChIKeyVFRJSYWTAJIUIY-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637
7-methoxy-2-(3-methoxypyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103537692
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248788
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115561358) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1)C(O)C(N1CC3CCCC3C1)CC2.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is VFRJSYWTAJIUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-15-7-5-12-6-8-17(18(20)16(12)9-15)19-10-13-3-2-4-14(13)11-19/h5,7,9,13-14,17-18,20H,2-4,6,8,10-11H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 287.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115561358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).