8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]

C13H18N2O — CID 155726927

IUPAC8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]
SMILESCc1c(C(C)C)cnc2c1NC1(CC1)CO2
InChIInChI=1S/C13H18N2O/c1-8(2)10-6-14-12-11(9(10)3)15-13(4-5-13)7-16-12/h6,8,15H,4-5,7H2,1-3H3
InChIKeyPBEHZYAJMPXAQE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.85
Rot. Bonds1

About 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]

8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane] (PubChem CID 155726927) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane].

Molecular Properties

Compound Name8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]
PubChem CID155726927
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]
SMILESCc1c(C(C)C)cnc2c1NC1(CC1)CO2
InChIInChI=1S/C13H18N2O/c1-8(2)10-6-14-12-11(9(10)3)15-13(4-5-13)7-16-12/h6,8,15H,4-5,7H2,1-3H3
InChIKeyPBEHZYAJMPXAQE-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]?
The IUPAC name of 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane] (CID 155726927) is 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane].
What is the SMILES notation for 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]?
The canonical SMILES for 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane] is Cc1c(C(C)C)cnc2c1NC1(CC1)CO2.
What is the InChIKey of 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]?
The InChIKey is PBEHZYAJMPXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)10-6-14-12-11(9(10)3)15-13(4-5-13)7-16-12/h6,8,15H,4-5,7H2,1-3H3.
What are the key properties of 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane]?
8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane] has a molecular weight of 218.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-propan-2-ylspiro[1,3-dihydropyrido[2,3-b][1,4]oxazine-2,1'-cyclopropane] is sourced from PubChem (CID 155726927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).