1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one

C10H18N2O — CID 18684993

IUPAC1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCN1CCC2N(C)C(=O)CC2(C)C1
InChIInChI=1S/C10H18N2O/c1-10-6-9(13)12(3)8(10)4-5-11(2)7-10/h8H,4-7H2,1-3H3
InChIKeyOUHWWJATBZWSCB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds

About 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one

1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 18684993) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID18684993
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESCN1CCC2N(C)C(=O)CC2(C)C1
InChIInChI=1S/C10H18N2O/c1-10-6-9(13)12(3)8(10)4-5-11(2)7-10/h8H,4-7H2,1-3H3
InChIKeyOUHWWJATBZWSCB-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one (CID 18684993) is 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one is CN1CCC2N(C)C(=O)CC2(C)C1.
What is the InChIKey of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is OUHWWJATBZWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10-6-9(13)12(3)8(10)4-5-11(2)7-10/h8H,4-7H2,1-3H3.
What are the key properties of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one?
1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-3H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 18684993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).