6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one

C10H14N2O — CID 167552131

IUPAC6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)N1CCC2=C(N=CC2)C1=O
InChIInChI=1S/C10H14N2O/c1-7(2)12-6-4-8-3-5-11-9(8)10(12)13/h5,7H,3-4,6H2,1-2H3
InChIKeyCWBVJZDTKMOWEJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.36
Rot. Bonds1

About 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one

6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 167552131) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID167552131
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)N1CCC2=C(N=CC2)C1=O
InChIInChI=1S/C10H14N2O/c1-7(2)12-6-4-8-3-5-11-9(8)10(12)13/h5,7H,3-4,6H2,1-2H3
InChIKeyCWBVJZDTKMOWEJ-UHFFFAOYSA-N
XLogP1.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one (CID 167552131) is 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one is CC(C)N1CCC2=C(N=CC2)C1=O.
What is the InChIKey of 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is CWBVJZDTKMOWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)12-6-4-8-3-5-11-9(8)10(12)13/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one?
6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 178.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4,5-dihydro-3H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 167552131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).