2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C16H26N2O2 — CID 91646466

IUPAC2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCC1CCCC(CCN2C(=O)C3CCCCN3C2=O)C1
InChIInChI=1S/C16H26N2O2/c1-12-5-4-6-13(11-12)8-10-18-15(19)14-7-2-3-9-17(14)16(18)20/h12-14H,2-11H2,1H3
InChIKeyOYERZLXFBSKAMG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.02
Rot. Bonds3

About 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 91646466) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID91646466
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCC1CCCC(CCN2C(=O)C3CCCCN3C2=O)C1
InChIInChI=1S/C16H26N2O2/c1-12-5-4-6-13(11-12)8-10-18-15(19)14-7-2-3-9-17(14)16(18)20/h12-14H,2-11H2,1H3
InChIKeyOYERZLXFBSKAMG-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 91646466) is 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is CC1CCCC(CCN2C(=O)C3CCCCN3C2=O)C1.
What is the InChIKey of 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is OYERZLXFBSKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-5-4-6-13(11-12)8-10-18-15(19)14-7-2-3-9-17(14)16(18)20/h12-14H,2-11H2,1H3.
What are the key properties of 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 278.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 91646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).