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

C14H22N2O3 — CID 101030392

IUPAC(7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CCC12C[C@@H](O)CN1C(=O)C(CC(C)C)NC2=O
InChIInChI=1S/C14H22N2O3/c1-4-5-14-7-10(17)8-16(14)12(18)11(6-9(2)3)15-13(14)19/h4,9-11,17H,1,5-8H2,2-3H3,(H,15,19)/t10-,11?,14?/m1/s1
InChIKeyMSVFHRMJZJSZLH-CDWSIMAYSA-N
MW266.34 g/mol
LogP0.44
Rot. Bonds4

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

(7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 101030392) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID101030392
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CCC12C[C@@H](O)CN1C(=O)C(CC(C)C)NC2=O
InChIInChI=1S/C14H22N2O3/c1-4-5-14-7-10(17)8-16(14)12(18)11(6-9(2)3)15-13(14)19/h4,9-11,17H,1,5-8H2,2-3H3,(H,15,19)/t10-,11?,14?/m1/s1
InChIKeyMSVFHRMJZJSZLH-CDWSIMAYSA-N
XLogP0.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7R)-8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 101030396
(3R)-8a-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 56953620
1-(1-methylcyclopentyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64973589
[8a-ethyl-1,4-dioxo-3-(2-oxo-2-prop-2-enoxyethyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]iminoplatinum
CID 20775126
(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
CID 162574237
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2635015
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960795
3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione
CID 5011032
3-cyclobutyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 115927918
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168
3-(2-methylpropyl)-1-(1-methylsulfanylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 113473111

Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (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) is (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is C=CCC12C[C@@H](O)CN1C(=O)C(CC(C)C)NC2=O.
What is the InChIKey of (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is MSVFHRMJZJSZLH-CDWSIMAYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-14-7-10(17)8-16(14)12(18)11(6-9(2)3)15-13(14)19/h4,9-11,17H,1,5-8H2,2-3H3,(H,15,19)/t10-,11?,14?/m1/s1.
What are the key properties of (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-3-(2-methylpropyl)-8a-prop-2-enyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 101030392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).