carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol

C14H19NO3 — CID 159844958

IUPACcarbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol
SMILESCC[C@H]1C[C@@H](c2ccnc(C)c2)[C@@H]1CO.O=C=O
InChIInChI=1S/C13H19NO.CO2/c1-3-10-7-12(13(10)8-15)11-4-5-14-9(2)6-11;2-1-3/h4-6,10,12-13,15H,3,7-8H2,1-2H3;/t10-,12-,13+;/m0./s1
InChIKeyNPEGPLHHPACLBH-MXDHMJAMSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds3

About carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol

carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol (PubChem CID 159844958) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol.

Molecular Properties

Compound Namecarbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol
PubChem CID159844958
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namecarbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol
SMILESCC[C@H]1C[C@@H](c2ccnc(C)c2)[C@@H]1CO.O=C=O
InChIInChI=1S/C13H19NO.CO2/c1-3-10-7-12(13(10)8-15)11-4-5-14-9(2)6-11;2-1-3/h4-6,10,12-13,15H,3,7-8H2,1-2H3;/t10-,12-,13+;/m0./s1
InChIKeyNPEGPLHHPACLBH-MXDHMJAMSA-N
XLogP1.93
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropylcyclopropyl)-2-methylpyridine
CID 173069598
4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide
CID 157450822
6-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 170416532
[2-(6-methyl-3-pyridinyl)cyclopropyl]methanol
CID 104824173
[(1R,2R)-2-(4-methyl-2-pyridinyl)cyclopropyl]methanol
CID 146166172
3-amino-5-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 170417496
[(1R,2R)-2-[(2-methyl-4-pyridinyl)amino]cyclopropyl]methanol
CID 130719040
[(1S,2R)-2-(2-bromo-5-methylphenyl)cyclopropyl]methanol;carbon dioxide
CID 161356330
2-methyl-4-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 146228482
4-bromo-2-(2-ethylcyclopropyl)pyridine
CID 126586399
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 121318744

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol?
The IUPAC name of carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol (CID 159844958) is carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol.
What is the SMILES notation for carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol?
The canonical SMILES for carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol is CC[C@H]1C[C@@H](c2ccnc(C)c2)[C@@H]1CO.O=C=O.
What is the InChIKey of carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol?
The InChIKey is NPEGPLHHPACLBH-MXDHMJAMSA-N. The full InChI is InChI=1S/C13H19NO.CO2/c1-3-10-7-12(13(10)8-15)11-4-5-14-9(2)6-11;2-1-3/h4-6,10,12-13,15H,3,7-8H2,1-2H3;/t10-,12-,13+;/m0./s1.
What are the key properties of carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol?
carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol has a molecular weight of 249.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;[(1R,2S,4R)-2-ethyl-4-(2-methyl-4-pyridinyl)cyclobutyl]methanol is sourced from PubChem (CID 159844958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).