spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one

C8H9N3O — CID 82375732

IUPACspiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2[nH]ccc2NC12CC2
InChIInChI=1S/C8H9N3O/c12-7-8(2-3-8)11-5-1-4-9-6(5)10-7/h1,4,9,11H,2-3H2,(H,10,12)
InChIKeyJDVLTLFXSJRVDW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.91
Rot. Bonds

About spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one

spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one (PubChem CID 82375732) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Namespiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
PubChem CID82375732
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Namespiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
SMILESO=C1Nc2[nH]ccc2NC12CC2
InChIInChI=1S/C8H9N3O/c12-7-8(2-3-8)11-5-1-4-9-6(5)10-7/h1,4,9,11H,2-3H2,(H,10,12)
InChIKeyJDVLTLFXSJRVDW-UHFFFAOYSA-N
XLogP0.91
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1,4-dihydrofuro[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
CID 82375673
5,10-diazadispiro[2.2.26.23]decane-4,9-dione
CID 67427050
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
CID 84697857
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
spiro[1,4-dihydrothieno[2,3-b]pyrazine-2,4'-piperidine]-3-one
CID 96590760
8-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118281748
1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 66728930
7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 79296117
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
CID 112577491
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 104839626
6-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710

Frequently Asked Questions

What is the IUPAC name of spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one?
The IUPAC name of spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one (CID 82375732) is spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one.
What is the SMILES notation for spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one?
The canonical SMILES for spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one is O=C1Nc2[nH]ccc2NC12CC2.
What is the InChIKey of spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one?
The InChIKey is JDVLTLFXSJRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c12-7-8(2-3-8)11-5-1-4-9-6(5)10-7/h1,4,9,11H,2-3H2,(H,10,12).
What are the key properties of spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one?
spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one has a molecular weight of 163.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 82375732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).