methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate

C16H19NO3 — CID 170718205

IUPACmethyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)c2c1OC1(CCCC1)C2
InChIInChI=1S/C16H19NO3/c1-19-15(18)12-9-17-13(10-4-5-10)11-8-16(20-14(11)12)6-2-3-7-16/h9-10H,2-8H2,1H3
InChIKeyIPWBQCRADFDRBX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.99
Rot. Bonds2

About methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate

methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate (PubChem CID 170718205) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate
PubChem CID170718205
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)c2c1OC1(CCCC1)C2
InChIInChI=1S/C16H19NO3/c1-19-15(18)12-9-17-13(10-4-5-10)11-8-16(20-14(11)12)6-2-3-7-16/h9-10H,2-8H2,1H3
InChIKeyIPWBQCRADFDRBX-UHFFFAOYSA-N
XLogP2.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-ethoxy-6-methylpyridine-3-carboxylate
CID 45094185
Ethyl 6-(3-fluorophenyl)-4-(2-methylcyclohepta-1,3,6-trien-1-yl)oxypyridine-3-carboxylate
CID 143641337
Methyl 2-(1-fluorocyclopropyl)furo[3,2-c]pyridine-7-carboxylate
CID 178038953
Ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
CID 133098842
Methyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133099896
Methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916
Ethyl 6-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100498
Ethyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133100511
Methyl 4-methoxy-6-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate
CID 18974114
5-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-8-carboxylic acid
CID 21467264
Methyl 4-methoxy-5,6-dimethylnicotinate
CID 55253238
6-(2,6-Diethyl-phenyl)-4-ethoxy-nicotinic acid ethyl ester
CID 66994240

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate?
The IUPAC name of methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate (CID 170718205) is methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate.
What is the SMILES notation for methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate?
The canonical SMILES for methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate is COC(=O)c1cnc(C2CC2)c2c1OC1(CCCC1)C2.
What is the InChIKey of methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate?
The InChIKey is IPWBQCRADFDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-15(18)12-9-17-13(10-4-5-10)11-8-16(20-14(11)12)6-2-3-7-16/h9-10H,2-8H2,1H3.
What are the key properties of methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate?
methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropylspiro[3H-furo[3,2-c]pyridine-2,1'-cyclopentane]-7-carboxylate is sourced from PubChem (CID 170718205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).