3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one

C10H14ClN3O2 — CID 81210787

IUPAC3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCOC(CCl)C2)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-13-3-2-12-9(10(13)15)14-4-5-16-8(6-11)7-14/h2-3,8H,4-7H2,1H3
InChIKeyGHNHGZWYZGVFJL-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.22
Rot. Bonds2

About 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one

3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one (PubChem CID 81210787) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
PubChem CID81210787
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCOC(CCl)C2)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-13-3-2-12-9(10(13)15)14-4-5-16-8(6-11)7-14/h2-3,8H,4-7H2,1H3
InChIKeyGHNHGZWYZGVFJL-UHFFFAOYSA-N
XLogP0.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one (CID 81210787) is 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCOC(CCl)C2)c1=O.
What is the InChIKey of 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
The InChIKey is GHNHGZWYZGVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-13-3-2-12-9(10(13)15)14-4-5-16-8(6-11)7-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one has a molecular weight of 243.69 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 81210787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).