6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C11H16N2 — CID 118489361

IUPAC6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2NC(C(C)C)=CC2N=C1
InChIInChI=1S/C11H16N2/c1-7(2)9-5-10-11(13-9)4-8(3)6-12-10/h4-7,10-11,13H,1-3H3
InChIKeyHBFVDQGUTTWIAD-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.90
Rot. Bonds1

About 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118489361) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118489361
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2NC(C(C)C)=CC2N=C1
InChIInChI=1S/C11H16N2/c1-7(2)9-5-10-11(13-9)4-8(3)6-12-10/h4-7,10-11,13H,1-3H3
InChIKeyHBFVDQGUTTWIAD-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118489361) is 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2NC(C(C)C)=CC2N=C1.
What is the InChIKey of 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is HBFVDQGUTTWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(2)9-5-10-11(13-9)4-8(3)6-12-10/h4-7,10-11,13H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118489361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).