8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C12H18N2O — CID 146488534

IUPAC8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCCc1c(C(C)C)cnc2c1NCCO2
InChIInChI=1S/C12H18N2O/c1-4-9-10(8(2)3)7-14-12-11(9)13-5-6-15-12/h7-8,13H,4-6H2,1-3H3
InChIKeyBAMUPKNWNCTJEU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds2

About 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 146488534) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID146488534
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCCc1c(C(C)C)cnc2c1NCCO2
InChIInChI=1S/C12H18N2O/c1-4-9-10(8(2)3)7-14-12-11(9)13-5-6-15-12/h7-8,13H,4-6H2,1-3H3
InChIKeyBAMUPKNWNCTJEU-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 146488534) is 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is CCc1c(C(C)C)cnc2c1NCCO2.
What is the InChIKey of 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is BAMUPKNWNCTJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9-10(8(2)3)7-14-12-11(9)13-5-6-15-12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 206.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 146488534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).