3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C13H18N2O — CID 121384033

IUPAC3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)c1cnc2c(c1)C(C(C)C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-7(2)9-5-10-11(8(3)4)13(16)15-12(10)14-6-9/h5-8,11H,1-4H3,(H,14,15,16)
InChIKeyGVANDNIPCWXWDO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.90
Rot. Bonds2

About 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 121384033) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID121384033
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)c1cnc2c(c1)C(C(C)C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-7(2)9-5-10-11(8(3)4)13(16)15-12(10)14-6-9/h5-8,11H,1-4H3,(H,14,15,16)
InChIKeyGVANDNIPCWXWDO-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 121384033) is 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CC(C)c1cnc2c(c1)C(C(C)C)C(=O)N2.
What is the InChIKey of 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is GVANDNIPCWXWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-7(2)9-5-10-11(8(3)4)13(16)15-12(10)14-6-9/h5-8,11H,1-4H3,(H,14,15,16).
What are the key properties of 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 121384033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).