6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one

C19H24N2O2 — CID 110211179

IUPAC6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one
SMILESCc1ccc2occ(CN3CC4CCCN4C[C@@H]3C)c(=O)c2c1
InChIInChI=1S/C19H24N2O2/c1-13-5-6-18-17(8-13)19(22)15(12-23-18)10-21-11-16-4-3-7-20(16)9-14(21)2/h5-6,8,12,14,16H,3-4,7,9-11H2,1-2H3/t14-,16?/m0/s1
InChIKeyPVKHVPQESLXAED-LBAUFKAWSA-N
MW312.41 g/mol
LogP2.77
Rot. Bonds2

About 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one

6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one (PubChem CID 110211179) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one
PubChem CID110211179
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one
SMILESCc1ccc2occ(CN3CC4CCCN4C[C@@H]3C)c(=O)c2c1
InChIInChI=1S/C19H24N2O2/c1-13-5-6-18-17(8-13)19(22)15(12-23-18)10-21-11-16-4-3-7-20(16)9-14(21)2/h5-6,8,12,14,16H,3-4,7,9-11H2,1-2H3/t14-,16?/m0/s1
InChIKeyPVKHVPQESLXAED-LBAUFKAWSA-N
XLogP2.77
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one with MolForge

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Related Compounds

3-[[(3S,7R,8aR)-7-hydroxy-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-6-methylchromen-4-one
CID 92560038
2-methyl-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 112553685
(3R,8aR)-2-[(2,5-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603779
[5-methyl-4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]methanamine
CID 80729106
4-ethyl-3-[(3R)-1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95222447
(3R,8aR)-3-methyl-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792176
2-bromo-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 82982960
(3S,8aR)-3-methyl-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792133
4-amino-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 79940522
(3R)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211287
(3R,8aR)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792187
6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzodioxol-5-ol
CID 78997307

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one?
The IUPAC name of 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one (CID 110211179) is 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one.
What is the SMILES notation for 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one?
The canonical SMILES for 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one is Cc1ccc2occ(CN3CC4CCCN4C[C@@H]3C)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one?
The InChIKey is PVKHVPQESLXAED-LBAUFKAWSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-5-6-18-17(8-13)19(22)15(12-23-18)10-21-11-16-4-3-7-20(16)9-14(21)2/h5-6,8,12,14,16H,3-4,7,9-11H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one?
6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one has a molecular weight of 312.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]chromen-4-one is sourced from PubChem (CID 110211179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).