2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]

C14H20N2 — CID 177283769

IUPAC2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]
SMILESCN1Cc2ccc(C(C)(C)C)nc2C12CC2
InChIInChI=1S/C14H20N2/c1-13(2,3)11-6-5-10-9-16(4)14(7-8-14)12(10)15-11/h5-6H,7-9H2,1-4H3
InChIKeyDZDXRWNOTYHODG-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.81
Rot. Bonds

About 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]

2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane] (PubChem CID 177283769) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane].

Molecular Properties

Compound Name2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]
PubChem CID177283769
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]
SMILESCN1Cc2ccc(C(C)(C)C)nc2C12CC2
InChIInChI=1S/C14H20N2/c1-13(2,3)11-6-5-10-9-16(4)14(7-8-14)12(10)15-11/h5-6H,7-9H2,1-4H3
InChIKeyDZDXRWNOTYHODG-UHFFFAOYSA-N
XLogP2.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]?
The IUPAC name of 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane] (CID 177283769) is 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane].
What is the SMILES notation for 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]?
The canonical SMILES for 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane] is CN1Cc2ccc(C(C)(C)C)nc2C12CC2.
What is the InChIKey of 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]?
The InChIKey is DZDXRWNOTYHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-13(2,3)11-6-5-10-9-16(4)14(7-8-14)12(10)15-11/h5-6H,7-9H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]?
2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane] has a molecular weight of 216.33 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane] is sourced from PubChem (CID 177283769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).