2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one

C22H24N2O3 — CID 51500816

IUPAC2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one
SMILESCC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1
InChIInChI=1S/C22H24N2O3/c1-5-17-18-7-6-15(4)23(18)8-9-24(17)22(26)21-12-19(25)16-10-13(2)14(3)11-20(16)27-21/h6-7,10-12,17H,5,8-9H2,1-4H3/t17-/m0/s1
InChIKeyMWQAPONIGXWOBE-KRWDZBQOSA-N
MW364.45 g/mol
LogP4.13
Rot. Bonds2

About 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one

2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one (PubChem CID 51500816) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one
PubChem CID51500816
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one
SMILESCC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1
InChIInChI=1S/C22H24N2O3/c1-5-17-18-7-6-15(4)23(18)8-9-24(17)22(26)21-12-19(25)16-10-13(2)14(3)11-20(16)27-21/h6-7,10-12,17H,5,8-9H2,1-4H3/t17-/m0/s1
InChIKeyMWQAPONIGXWOBE-KRWDZBQOSA-N
XLogP4.13
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one?
The IUPAC name of 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one (CID 51500816) is 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one is CC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1.
What is the InChIKey of 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one?
The InChIKey is MWQAPONIGXWOBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-17-18-7-6-15(4)23(18)8-9-24(17)22(26)21-12-19(25)16-10-13(2)14(3)11-20(16)27-21/h6-7,10-12,17H,5,8-9H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one?
2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one has a molecular weight of 364.45 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 51500816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).