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

C9H13N3 — CID 82377563

IUPAC4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]
SMILESCN1CC2(CC2)Nc2cc[nH]c21
InChIInChI=1S/C9H13N3/c1-12-6-9(3-4-9)11-7-2-5-10-8(7)12/h2,5,10-11H,3-4,6H2,1H3
InChIKeyRUJICAYXDDDTEP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.41
Rot. Bonds

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

4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane] (PubChem CID 82377563) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane].

Molecular Properties

Compound Name4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]
PubChem CID82377563
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]
SMILESCN1CC2(CC2)Nc2cc[nH]c21
InChIInChI=1S/C9H13N3/c1-12-6-9(3-4-9)11-7-2-5-10-8(7)12/h2,5,10-11H,3-4,6H2,1H3
InChIKeyRUJICAYXDDDTEP-UHFFFAOYSA-N
XLogP1.41
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]?
The IUPAC name of 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane] (CID 82377563) is 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane].
What is the SMILES notation for 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]?
The canonical SMILES for 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane] is CN1CC2(CC2)Nc2cc[nH]c21.
What is the InChIKey of 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]?
The InChIKey is RUJICAYXDDDTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-6-9(3-4-9)11-7-2-5-10-8(7)12/h2,5,10-11H,3-4,6H2,1H3.
What are the key properties of 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane]?
4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane] has a molecular weight of 163.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[3,5-dihydro-1H-pyrrolo[2,3-b]pyrazine-2,1'-cyclopropane] is sourced from PubChem (CID 82377563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).