1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile

C10H14N2O2 — CID 131208967

IUPAC1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1(O)CN(C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C10H14N2O2/c1-9(14)6-12(7-9)8(13)10(5-11)3-2-4-10/h14H,2-4,6-7H2,1H3
InChIKeyBTEFGMZOBJYSSZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.27
Rot. Bonds1

About 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile

1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 131208967) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID131208967
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1(O)CN(C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C10H14N2O2/c1-9(14)6-12(7-9)8(13)10(5-11)3-2-4-10/h14H,2-4,6-7H2,1H3
InChIKeyBTEFGMZOBJYSSZ-UHFFFAOYSA-N
XLogP0.27
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 102737709
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclopentane-1-carbonitrile
CID 102738630
1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 78994637
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]oxane-4-carbonitrile
CID 97145239
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
1-(2,2-dimethylmorpholine-4-carbonyl)cyclohexane-1-carbonitrile
CID 61461376
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octane-2-carbonyl)cyclopentane-1-carbonitrile
CID 131685321

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 131208967) is 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile is CC1(O)CN(C(=O)C2(C#N)CCC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is BTEFGMZOBJYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-9(14)6-12(7-9)8(13)10(5-11)3-2-4-10/h14H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 131208967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).