4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol

C18H28N2O2 — CID 156689015

IUPAC4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol
SMILESOCCCCN1Cc2cc3c(cc2C1)CN(CCCCO)C3
InChIInChI=1S/C18H28N2O2/c21-7-3-1-5-19-11-15-9-17-13-20(6-2-4-8-22)14-18(17)10-16(15)12-19/h9-10,21-22H,1-8,11-14H2
InChIKeyUJRWHOBOCFAIFB-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.86
Rot. Bonds8

About 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol

4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol (PubChem CID 156689015) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol
PubChem CID156689015
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol
SMILESOCCCCN1Cc2cc3c(cc2C1)CN(CCCCO)C3
InChIInChI=1S/C18H28N2O2/c21-7-3-1-5-19-11-15-9-17-13-20(6-2-4-8-22)14-18(17)10-16(15)12-19/h9-10,21-22H,1-8,11-14H2
InChIKeyUJRWHOBOCFAIFB-UHFFFAOYSA-N
XLogP1.86
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
CID 110923925
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
CID 82163784
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
4-(5-chloro-1,3-dihydroisoindol-2-yl)butanoic acid
CID 82164089
5-[20-(5-hydroxypentyl)-4,12,16,24-tetramethyl-1,3,8,13,15,20,25,26,27,28-decazapentacyclo[20.2.1.13,6.110,13.115,18]octacosa-4,6(28),10(27),11,16,18(26),22(25),23-octaen-8-yl]pentan-1-ol
CID 177461601
4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)butan-1-ol
CID 111630024
2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
CID 82164081
2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
CID 82164047
2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
CID 131133727
4-(3-phenylazetidin-1-yl)butan-1-ol
CID 106844153

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol?
The IUPAC name of 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol (CID 156689015) is 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol is OCCCCN1Cc2cc3c(cc2C1)CN(CCCCO)C3.
What is the InChIKey of 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol?
The InChIKey is UJRWHOBOCFAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-7-3-1-5-19-11-15-9-17-13-20(6-2-4-8-22)14-18(17)10-16(15)12-19/h9-10,21-22H,1-8,11-14H2.
What are the key properties of 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol?
4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol has a molecular weight of 304.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol is sourced from PubChem (CID 156689015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).