2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C29H37N3O2 — CID 20907880

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C29H37N3O2/c1-29(28(34)30-24-15-9-4-10-16-24)21-31-25(23-13-7-3-8-14-23)17-18-26(31)27(33)32(29)20-19-22-11-5-2-6-12-22/h3,7-8,11,13-14,17-18,24H,2,4-6,9-10,12,15-16,19-21H2,1H3,(H,30,34)
InChIKeyVGHXNZVXZLKBLK-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.71
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 20907880) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID20907880
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C29H37N3O2/c1-29(28(34)30-24-15-9-4-10-16-24)21-31-25(23-13-7-3-8-14-23)17-18-26(31)27(33)32(29)20-19-22-11-5-2-6-12-22/h3,7-8,11,13-14,17-18,24H,2,4-6,9-10,12,15-16,19-21H2,1H3,(H,30,34)
InChIKeyVGHXNZVXZLKBLK-UHFFFAOYSA-N
XLogP5.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 20907880) is 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is VGHXNZVXZLKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-29(28(34)30-24-15-9-4-10-16-24)21-31-25(23-13-7-3-8-14-23)17-18-26(31)27(33)32(29)20-19-22-11-5-2-6-12-22/h3,7-8,11,13-14,17-18,24H,2,4-6,9-10,12,15-16,19-21H2,1H3,(H,30,34).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 20907880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).