4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile

C10H8N2O — CID 90721250

IUPAC4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile
SMILESCC1=CC(C)C2=NC(=O)C(C#N)=C12
InChIInChI=1S/C10H8N2O/c1-5-3-6(2)9-8(5)7(4-11)10(13)12-9/h3,6H,1-2H3
InChIKeyBSZCRUZUKJFVEI-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.38
Rot. Bonds

About 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile

4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile (PubChem CID 90721250) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile
PubChem CID90721250
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile
SMILESCC1=CC(C)C2=NC(=O)C(C#N)=C12
InChIInChI=1S/C10H8N2O/c1-5-3-6(2)9-8(5)7(4-11)10(13)12-9/h3,6H,1-2H3
InChIKeyBSZCRUZUKJFVEI-UHFFFAOYSA-N
XLogP1.38
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile (CID 90721250) is 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile is CC1=CC(C)C2=NC(=O)C(C#N)=C12.
What is the InChIKey of 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile?
The InChIKey is BSZCRUZUKJFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-5-3-6(2)9-8(5)7(4-11)10(13)12-9/h3,6H,1-2H3.
What are the key properties of 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile?
4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-6H-cyclopenta[b]pyrrole-3-carbonitrile is sourced from PubChem (CID 90721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).