2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one

C11H18N2O — CID 141276445

IUPAC2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
SMILESO=C1CC2CN(CC3CC3)CC2CN1
InChIInChI=1S/C11H18N2O/c14-11-3-9-6-13(5-8-1-2-8)7-10(9)4-12-11/h8-10H,1-7H2,(H,12,14)
InChIKeyWHCAMSDIUPEIDL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.46
Rot. Bonds2

About 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one

2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one (PubChem CID 141276445) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
PubChem CID141276445
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
SMILESO=C1CC2CN(CC3CC3)CC2CN1
InChIInChI=1S/C11H18N2O/c14-11-3-9-6-13(5-8-1-2-8)7-10(9)4-12-11/h8-10H,1-7H2,(H,12,14)
InChIKeyWHCAMSDIUPEIDL-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one?
The IUPAC name of 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one (CID 141276445) is 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one?
The canonical SMILES for 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one is O=C1CC2CN(CC3CC3)CC2CN1.
What is the InChIKey of 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one?
The InChIKey is WHCAMSDIUPEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-3-9-6-13(5-8-1-2-8)7-10(9)4-12-11/h8-10H,1-7H2,(H,12,14).
What are the key properties of 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one?
2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one has a molecular weight of 194.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one is sourced from PubChem (CID 141276445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).