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

C16H18N2O — CID 60628235

IUPAC(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone
SMILESCc1ccc2n1CCN(C(=O)c1ccccc1)C2C
InChIInChI=1S/C16H18N2O/c1-12-8-9-15-13(2)18(11-10-17(12)15)16(19)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3
InChIKeyLPHMLMZZXWGPFG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds1

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

(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone (PubChem CID 60628235) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone
PubChem CID60628235
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone
SMILESCc1ccc2n1CCN(C(=O)c1ccccc1)C2C
InChIInChI=1S/C16H18N2O/c1-12-8-9-15-13(2)18(11-10-17(12)15)16(19)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3
InChIKeyLPHMLMZZXWGPFG-UHFFFAOYSA-N
XLogP3.01
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone
CID 61165191
(2-chloro-3-pyridinyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 60628232
[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 169036001
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 60628219
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 65417599
(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 61147289
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone
CID 60724893
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
CID 79806177
(2-amino-4-chlorophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 61115025
(4-amino-5-methyl-1H-pyrazol-3-yl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 62081428
(5-bromo-2-iodophenyl)-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 103600033
(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 138045943

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone?
The IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone (CID 60628235) is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone.
What is the SMILES notation for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone?
The canonical SMILES for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone is Cc1ccc2n1CCN(C(=O)c1ccccc1)C2C.
What is the InChIKey of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone?
The InChIKey is LPHMLMZZXWGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-8-9-15-13(2)18(11-10-17(12)15)16(19)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3.
What are the key properties of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone?
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone has a molecular weight of 254.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 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)-phenylmethanone is sourced from PubChem (CID 60628235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).