2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one

C7H9NO — CID 66837631

IUPAC2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
SMILESO=C1C=C2CNCC2C1
InChIInChI=1S/C7H9NO/c9-7-1-5-3-8-4-6(5)2-7/h1,6,8H,2-4H2
InChIKeyVQIBCPXGVXJDTJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.10
Rot. Bonds

About 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one

2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one (PubChem CID 66837631) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
PubChem CID66837631
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one
SMILESO=C1C=C2CNCC2C1
InChIInChI=1S/C7H9NO/c9-7-1-5-3-8-4-6(5)2-7/h1,6,8H,2-4H2
InChIKeyVQIBCPXGVXJDTJ-UHFFFAOYSA-N
XLogP0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
The IUPAC name of 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one (CID 66837631) is 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one.
What is the SMILES notation for 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
The canonical SMILES for 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one is O=C1C=C2CNCC2C1.
What is the InChIKey of 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
The InChIKey is VQIBCPXGVXJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-7-1-5-3-8-4-6(5)2-7/h1,6,8H,2-4H2.
What are the key properties of 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one?
2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one has a molecular weight of 123.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 66837631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).