3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C14H19F3N2O2 — CID 106210901

IUPAC3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCC2C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-8(2)10-12(21)18-7-3-4-9(18)11(20)19(10)13(5-6-13)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeyVOKZRSGDTHWXTG-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.94
Rot. Bonds2

About 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 106210901) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID106210901
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCC2C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-8(2)10-12(21)18-7-3-4-9(18)11(20)19(10)13(5-6-13)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeyVOKZRSGDTHWXTG-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 106210901) is 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCC2C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is VOKZRSGDTHWXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-8(2)10-12(21)18-7-3-4-9(18)11(20)19(10)13(5-6-13)14(15,16)17/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 304.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 106210901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).