(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C15H19ClN2O2 — CID 106501985

IUPAC(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1CN2CCCC2CN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10-8-17-6-2-3-11(17)9-18(10)15(20)13-7-12(19)4-5-14(13)16/h4-5,7,10-11,19H,2-3,6,8-9H2,1H3
InChIKeyTVQPWVGTYLNYRM-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.35
Rot. Bonds1

About (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 106501985) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID106501985
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1CN2CCCC2CN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10-8-17-6-2-3-11(17)9-18(10)15(20)13-7-12(19)4-5-14(13)16/h4-5,7,10-11,19H,2-3,6,8-9H2,1H3
InChIKeyTVQPWVGTYLNYRM-UHFFFAOYSA-N
XLogP2.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone with MolForge

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Related Compounds

(4-chloro-3-methylphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136514621
(2,5-dichloro-4-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 114918674
(2-amino-3-chlorophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 115540858
(3-bromo-4-chlorophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103842020
(2-bromo-4-chlorophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103765300
(2,4-dibromophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103882887
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 79934104
(3-bromophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 78960096
(2-iodophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 78992348
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507887
[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 124840112
(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 106501693

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 106501985) is (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CC1CN2CCCC2CN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is TVQPWVGTYLNYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-8-17-6-2-3-11(17)9-18(10)15(20)13-7-12(19)4-5-14(13)16/h4-5,7,10-11,19H,2-3,6,8-9H2,1H3.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 294.78 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 106501985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).