tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate

C17H21NO4 — CID 167603538

IUPACtert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate
SMILESCC1OC(=O)c2ccc(CC(=O)OC(C)(C)C)nc2C12CC2
InChIInChI=1S/C17H21NO4/c1-10-17(7-8-17)14-12(15(20)21-10)6-5-11(18-14)9-13(19)22-16(2,3)4/h5-6,10H,7-9H2,1-4H3
InChIKeyNDCMRCUQYGFXGO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.56
Rot. Bonds2

About tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate

tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate (PubChem CID 167603538) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate
PubChem CID167603538
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nametert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate
SMILESCC1OC(=O)c2ccc(CC(=O)OC(C)(C)C)nc2C12CC2
InChIInChI=1S/C17H21NO4/c1-10-17(7-8-17)14-12(15(20)21-10)6-5-11(18-14)9-13(19)22-16(2,3)4/h5-6,10H,7-9H2,1-4H3
InChIKeyNDCMRCUQYGFXGO-UHFFFAOYSA-N
XLogP2.56
TPSA65.49 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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate with MolForge

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Related Compounds

Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
Diethyl 2,6-Dimethyl-4-Phenylpyridine-3,5-Dicarboxylate
CID 629929
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
2-Methylquinoline-3-carboxylic acid ethyl ester
CID 647634
Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
Ethyl 2,4-dimethylquinoline-3-carboxylate
CID 2501158
Ethyl 5,6,7,8-tetrahydro-2,7,7-trimethyl-5-oxo-4-phenyl-3-quinolinecarboxylate
CID 630757
ethyl 2-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 3754294
3-Ethyl 5-propyl 4,6-dimethyl-2-phenylpyridine-3,5-dicarboxylate
CID 10569216
Diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10688603
8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carboxylic acid propyl ester
CID 10736931
5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid ethyl ester
CID 11792534

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate?
The IUPAC name of tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate (CID 167603538) is tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate is CC1OC(=O)c2ccc(CC(=O)OC(C)(C)C)nc2C12CC2.
What is the InChIKey of tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate?
The InChIKey is NDCMRCUQYGFXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10-17(7-8-17)14-12(15(20)21-10)6-5-11(18-14)9-13(19)22-16(2,3)4/h5-6,10H,7-9H2,1-4H3.
What are the key properties of tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate?
tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate has a molecular weight of 303.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-methyl-5-oxospiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-2-yl)acetate is sourced from PubChem (CID 167603538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).