2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine

C10H14N2O2 — CID 58328456

IUPAC2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
SMILESCc1cnc([C@H]2COC(C)(C)O2)cn1
InChIInChI=1S/C10H14N2O2/c1-7-4-12-8(5-11-7)9-6-13-10(2,3)14-9/h4-5,9H,6H2,1-3H3/t9-/m1/s1
InChIKeyONLHVWCRHGRVBE-SECBINFHSA-N
MW194.23 g/mol
LogP1.61
Rot. Bonds1

About 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine (PubChem CID 58328456) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
PubChem CID58328456
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
SMILESCc1cnc([C@H]2COC(C)(C)O2)cn1
InChIInChI=1S/C10H14N2O2/c1-7-4-12-8(5-11-7)9-6-13-10(2,3)14-9/h4-5,9H,6H2,1-3H3/t9-/m1/s1
InChIKeyONLHVWCRHGRVBE-SECBINFHSA-N
XLogP1.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine?
The IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine (CID 58328456) is 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine is Cc1cnc([C@H]2COC(C)(C)O2)cn1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine?
The InChIKey is ONLHVWCRHGRVBE-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-4-12-8(5-11-7)9-6-13-10(2,3)14-9/h4-5,9H,6H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine?
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine has a molecular weight of 194.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine is sourced from PubChem (CID 58328456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).