2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol

C12H17NO — CID 81415976

IUPAC2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccncc1
InChIInChI=1S/C12H17NO/c1-3-12(2)10(8-11(12)14)9-4-6-13-7-5-9/h4-7,10-11,14H,3,8H2,1-2H3
InChIKeySXKAPWLWYPYJNA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds2

About 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol

2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol (PubChem CID 81415976) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol
PubChem CID81415976
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccncc1
InChIInChI=1S/C12H17NO/c1-3-12(2)10(8-11(12)14)9-4-6-13-7-5-9/h4-7,10-11,14H,3,8H2,1-2H3
InChIKeySXKAPWLWYPYJNA-UHFFFAOYSA-N
XLogP2.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-3-pyridin-2-ylcyclobutan-1-ol
CID 81416223
2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
CID 81415193
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol
CID 81415981
3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol
CID 81415013
3-(4-ethylphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416562
2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
CID 81415983
2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
CID 81416387
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol
CID 66343326
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
1-amino-2-pyridin-4-ylcyclohexan-1-ol
CID 174671980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol (CID 81415976) is 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol is CCC1(C)C(O)CC1c1ccncc1.
What is the InChIKey of 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol?
The InChIKey is SXKAPWLWYPYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(2)10(8-11(12)14)9-4-6-13-7-5-9/h4-7,10-11,14H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol?
2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol is sourced from PubChem (CID 81415976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).