5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine

C12H18N2 — CID 176650950

IUPAC5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC(C)c1cnc2c(c1)C(C)(C)NC2
InChIInChI=1S/C12H18N2/c1-8(2)9-5-10-11(13-6-9)7-14-12(10,3)4/h5-6,8,14H,7H2,1-4H3
InChIKeyDHCSCDLSBQJPRQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.54
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine

5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 176650950) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID176650950
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC(C)c1cnc2c(c1)C(C)(C)NC2
InChIInChI=1S/C12H18N2/c1-8(2)9-5-10-11(13-6-9)7-14-12(10,3)4/h5-6,8,14H,7H2,1-4H3
InChIKeyDHCSCDLSBQJPRQ-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine (CID 176650950) is 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine is CC(C)c1cnc2c(c1)C(C)(C)NC2.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is DHCSCDLSBQJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)9-5-10-11(13-6-9)7-14-12(10,3)4/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine?
5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 176650950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).