(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

C18H30N2O3 — CID 101030396

IUPAC(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CC1NC(=O)C2(CC3CCCCC3)C[C@@H](O)CN2C1=O
InChIInChI=1S/C18H30N2O3/c1-12(2)8-15-16(22)20-11-14(21)10-18(20,17(23)19-15)9-13-6-4-3-5-7-13/h12-15,21H,3-11H2,1-2H3,(H,19,23)/t14-,15?,18?/m1/s1
InChIKeyVEAZLAQSWQYECA-KSTDHSDQSA-N
MW322.45 g/mol
LogP1.83
Rot. Bonds4

About (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 101030396) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID101030396
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CC1NC(=O)C2(CC3CCCCC3)C[C@@H](O)CN2C1=O
InChIInChI=1S/C18H30N2O3/c1-12(2)8-15-16(22)20-11-14(21)10-18(20,17(23)19-15)9-13-6-4-3-5-7-13/h12-15,21H,3-11H2,1-2H3,(H,19,23)/t14-,15?,18?/m1/s1
InChIKeyVEAZLAQSWQYECA-KSTDHSDQSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

(7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 101030392
(3R)-8a-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 56953620
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883554
1-(1-methylcyclopentyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64973589
1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958879
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 41411898
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
3-cyclobutyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 115927918
2-cyclopentyl-3-cyclopropyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83242377
6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64900781
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505

Frequently Asked Questions

What is the IUPAC name of (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 101030396) is (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)CC1NC(=O)C2(CC3CCCCC3)C[C@@H](O)CN2C1=O.
What is the InChIKey of (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is VEAZLAQSWQYECA-KSTDHSDQSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-12(2)8-15-16(22)20-11-14(21)10-18(20,17(23)19-15)9-13-6-4-3-5-7-13/h12-15,21H,3-11H2,1-2H3,(H,19,23)/t14-,15?,18?/m1/s1.
What are the key properties of (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 322.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 101030396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).