methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate

C17H21NO4 — CID 170943303

IUPACmethyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate
SMILESCOC(=O)c1c2n(c(C)c(C3=CCCCC3)c1=O)CCOC2
InChIInChI=1S/C17H21NO4/c1-11-14(12-6-4-3-5-7-12)16(19)15(17(20)21-2)13-10-22-9-8-18(11)13/h6H,3-5,7-10H2,1-2H3
InChIKeyPGRJRUZEKNFOKX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.43
Rot. Bonds2

About methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate

methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate (PubChem CID 170943303) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate
PubChem CID170943303
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate
SMILESCOC(=O)c1c2n(c(C)c(C3=CCCCC3)c1=O)CCOC2
InChIInChI=1S/C17H21NO4/c1-11-14(12-6-4-3-5-7-12)16(19)15(17(20)21-2)13-10-22-9-8-18(11)13/h6H,3-5,7-10H2,1-2H3
InChIKeyPGRJRUZEKNFOKX-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate with MolForge

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Related Compounds

7-(furan-2-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid
CID 156841173
dimethyl (2Z)-3-morpholin-4-ylcycloocta-2,8-diene-1,2-dicarboxylate
CID 2908161
4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid
CID 146623160
methyl cyclododecene-1-carboxylate
CID 54564642
N-[2-(cyclohexen-1-yl)ethyl]-9-(2-methoxyethoxy)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
CID 91912856
methyl 8-oxocyclononene-1-carboxylate
CID 131879237
methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
CID 166570461
dimethyl (1R,4R)-2,3-di(cyclohexen-1-yl)cyclohexa-2,5-diene-1,4-dicarboxylate
CID 10021186
ethyl 2-(cyclohexen-1-yl)pyrimidine-5-carboxylate
CID 178137636
dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
CID 164905081
methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
CID 24814270

Frequently Asked Questions

What is the IUPAC name of methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate?
The IUPAC name of methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate (CID 170943303) is methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate.
What is the SMILES notation for methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate?
The canonical SMILES for methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate is COC(=O)c1c2n(c(C)c(C3=CCCCC3)c1=O)CCOC2.
What is the InChIKey of methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate?
The InChIKey is PGRJRUZEKNFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-14(12-6-4-3-5-7-12)16(19)15(17(20)21-2)13-10-22-9-8-18(11)13/h6H,3-5,7-10H2,1-2H3.
What are the key properties of methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate?
methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(cyclohexen-1-yl)-6-methyl-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylate is sourced from PubChem (CID 170943303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).