2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate

C14H18N2O4 — CID 139351320

IUPAC2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
SMILESCOCCOC(=O)c1cnc2c(c1)OCCC1(CC1)N2
InChIInChI=1S/C14H18N2O4/c1-18-6-7-20-13(17)10-8-11-12(15-9-10)16-14(2-3-14)4-5-19-11/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyJYEMMKAHBYXIRM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.61
Rot. Bonds4

About 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate

2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate (PubChem CID 139351320) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
PubChem CID139351320
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
SMILESCOCCOC(=O)c1cnc2c(c1)OCCC1(CC1)N2
InChIInChI=1S/C14H18N2O4/c1-18-6-7-20-13(17)10-8-11-12(15-9-10)16-14(2-3-14)4-5-19-11/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyJYEMMKAHBYXIRM-UHFFFAOYSA-N
XLogP1.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
CID 142494934
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
diethyl 3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-4,8-dicarboxylate
CID 122445494
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 139351328
2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3415240
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3457414
ethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylate
CID 131337609
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride
CID 21228916
2-methoxyethyl 4-[4-[4-[4-[5-(2-methoxyethoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]butoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 21235523
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-one
CID 62789419
2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
CID 126503353
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate?
The IUPAC name of 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate (CID 139351320) is 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate.
What is the SMILES notation for 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate?
The canonical SMILES for 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate is COCCOC(=O)c1cnc2c(c1)OCCC1(CC1)N2.
What is the InChIKey of 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate?
The InChIKey is JYEMMKAHBYXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-18-6-7-20-13(17)10-8-11-12(15-9-10)16-14(2-3-14)4-5-19-11/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate?
2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate is sourced from PubChem (CID 139351320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).