2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

C10H13ClN2O — CID 154879705

IUPAC2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
SMILESC[C@H]1CN(C(=O)CCl)Cc2cccn21
InChIInChI=1S/C10H13ClN2O/c1-8-6-12(10(14)5-11)7-9-3-2-4-13(8)9/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyGFCYWFZNJJKWQJ-QMMMGPOBSA-N
MW212.68 g/mol
LogP1.63
Rot. Bonds1

About 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 154879705) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
PubChem CID154879705
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
SMILESC[C@H]1CN(C(=O)CCl)Cc2cccn21
InChIInChI=1S/C10H13ClN2O/c1-8-6-12(10(14)5-11)7-9-3-2-4-13(8)9/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyGFCYWFZNJJKWQJ-QMMMGPOBSA-N
XLogP1.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
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1-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-chloroethanone
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benzyl (2S)-4-(2-chloroacetyl)-2-methylpiperazine-1-carboxylate
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2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
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2-chloro-1-[3-(2-methylphenyl)azetidin-1-yl]ethanone
CID 166431801
2-chloro-1-(3-pyrrol-1-ylazetidin-1-yl)ethanone
CID 167936309
2-chloro-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96582197
1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
2-chloro-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71758717
2-chloro-1-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 129497533
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone (CID 154879705) is 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone is C[C@H]1CN(C(=O)CCl)Cc2cccn21.
What is the InChIKey of 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is GFCYWFZNJJKWQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8-6-12(10(14)5-11)7-9-3-2-4-13(8)9/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 212.68 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(4S)-4-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 154879705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).