5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine

C12H18N2 — CID 135195559

IUPAC5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCC1=CC2C=CN(C(C)C)C2N=C1C
InChIInChI=1S/C12H18N2/c1-8(2)14-6-5-11-7-9(3)10(4)13-12(11)14/h5-8,11-12H,1-4H3
InChIKeyKNAYSZLPPXNFOF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.59
Rot. Bonds1

About 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine

5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine (PubChem CID 135195559) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine
PubChem CID135195559
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCC1=CC2C=CN(C(C)C)C2N=C1C
InChIInChI=1S/C12H18N2/c1-8(2)14-6-5-11-7-9(3)10(4)13-12(11)14/h5-8,11-12H,1-4H3
InChIKeyKNAYSZLPPXNFOF-UHFFFAOYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine (CID 135195559) is 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine is CC1=CC2C=CN(C(C)C)C2N=C1C.
What is the InChIKey of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is KNAYSZLPPXNFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)14-6-5-11-7-9(3)10(4)13-12(11)14/h5-8,11-12H,1-4H3.
What are the key properties of 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine?
5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propan-2-yl-3a,7a-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135195559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).