5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one

C10H18N2O — CID 153499419

IUPAC5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)N1CCC2NCCC2C1=O
InChIInChI=1S/C10H18N2O/c1-7(2)12-6-4-9-8(10(12)13)3-5-11-9/h7-9,11H,3-6H2,1-2H3
InChIKeyUNKLNGDKNKLASB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one

5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 153499419) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID153499419
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)N1CCC2NCCC2C1=O
InChIInChI=1S/C10H18N2O/c1-7(2)12-6-4-9-8(10(12)13)3-5-11-9/h7-9,11H,3-6H2,1-2H3
InChIKeyUNKLNGDKNKLASB-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 153499419) is 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC(C)N1CCC2NCCC2C1=O.
What is the InChIKey of 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UNKLNGDKNKLASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)12-6-4-9-8(10(12)13)3-5-11-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one?
5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 153499419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).