10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one

C14H17NO3 — CID 14616704

IUPAC10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
SMILESCOc1ccc2c(c1)C(=O)N1CCCC1C2CO
InChIInChI=1S/C14H17NO3/c1-18-9-4-5-10-11(7-9)14(17)15-6-2-3-13(15)12(10)8-16/h4-5,7,12-13,16H,2-3,6,8H2,1H3
InChIKeyRIPOWBNPXQBVAW-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.39
Rot. Bonds2

About 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one

10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one (PubChem CID 14616704) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
PubChem CID14616704
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
SMILESCOc1ccc2c(c1)C(=O)N1CCCC1C2CO
InChIInChI=1S/C14H17NO3/c1-18-9-4-5-10-11(7-9)14(17)15-6-2-3-13(15)12(10)8-16/h4-5,7,12-13,16H,2-3,6,8H2,1H3
InChIKeyRIPOWBNPXQBVAW-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one with MolForge

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Related Compounds

12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one
CID 11257312
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CID 159689140
(6aS)-5-[(3-methoxyphenyl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 16676400
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[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66924554
[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 80731616
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
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(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
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(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
The IUPAC name of 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one (CID 14616704) is 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one is COc1ccc2c(c1)C(=O)N1CCCC1C2CO.
What is the InChIKey of 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
The InChIKey is RIPOWBNPXQBVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-9-4-5-10-11(7-9)14(17)15-6-2-3-13(15)12(10)8-16/h4-5,7,12-13,16H,2-3,6,8H2,1H3.
What are the key properties of 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one has a molecular weight of 247.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(hydroxymethyl)-7-methoxy-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 14616704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).