(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone

C17H20N2O2 — CID 5295554

IUPAC(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c(C)ccc3C2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-9-16-13(2)19(11-10-18(12)16)17(20)14-5-7-15(21-3)8-6-14/h4-9,13H,10-11H2,1-3H3
InChIKeySHRNZOSVUFQKPB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.02
Rot. Bonds2

About (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone

(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 5295554) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone
PubChem CID5295554
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c(C)ccc3C2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-9-16-13(2)19(11-10-18(12)16)17(20)14-5-7-15(21-3)8-6-14/h4-9,13H,10-11H2,1-3H3
InChIKeySHRNZOSVUFQKPB-UHFFFAOYSA-N
XLogP3.02
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone (CID 5295554) is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCn3c(C)ccc3C2C)cc1.
What is the InChIKey of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is SHRNZOSVUFQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-9-16-13(2)19(11-10-18(12)16)17(20)14-5-7-15(21-3)8-6-14/h4-9,13H,10-11H2,1-3H3.
What are the key properties of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone?
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 5295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).