1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol

C12H15NO — CID 82404420

IUPAC1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol
SMILESOC1CCN2c3ccccc3CCC12
InChIInChI=1S/C12H15NO/c14-12-7-8-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-4,11-12,14H,5-8H2
InChIKeyXOECLAIZUVAIOA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.57
Rot. Bonds

About 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol

1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol (PubChem CID 82404420) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol
PubChem CID82404420
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol
SMILESOC1CCN2c3ccccc3CCC12
InChIInChI=1S/C12H15NO/c14-12-7-8-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-4,11-12,14H,5-8H2
InChIKeyXOECLAIZUVAIOA-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
CID 82390555
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 82411355
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol
CID 77033802
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922
4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol
CID 21398511
4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol
CID 105491505
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
CID 21116508
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
2-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]isoindole-1,3-dione
CID 139703019

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol?
The IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol (CID 82404420) is 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol?
The canonical SMILES for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol is OC1CCN2c3ccccc3CCC12.
What is the InChIKey of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol?
The InChIKey is XOECLAIZUVAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-7-8-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-4,11-12,14H,5-8H2.
What are the key properties of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol?
1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol has a molecular weight of 189.26 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-ol is sourced from PubChem (CID 82404420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).