1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile

C11H16N2O2 — CID 71970777

IUPAC1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC(O)C2)CCCCC1
InChIInChI=1S/C11H16N2O2/c12-8-11(4-2-1-3-5-11)10(15)13-6-9(14)7-13/h9,14H,1-7H2
InChIKeyCOEIAZZCFGHRRB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds1

About 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile

1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 71970777) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID71970777
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC(O)C2)CCCCC1
InChIInChI=1S/C11H16N2O2/c12-8-11(4-2-1-3-5-11)10(15)13-6-9(14)7-13/h9,14H,1-7H2
InChIKeyCOEIAZZCFGHRRB-UHFFFAOYSA-N
XLogP0.66
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexanecarbonylazetidin-3-ol
CID 63107320
1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479514
1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107479535
1-[3-(Difluoromethoxy)azetidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 137926154
3-(3-Hydroxy-3-methylazetidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 123948929
1-(3-Hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide
CID 141418328
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 53619585
1-(3-Hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 55208783
1-[4-(2-Hydroxypropyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56802510
1-cyano-N-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461626
1-cyano-N-ethyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 61461664
N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 61461703

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile (CID 71970777) is 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CC(O)C2)CCCCC1.
What is the InChIKey of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is COEIAZZCFGHRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-8-11(4-2-1-3-5-11)10(15)13-6-9(14)7-13/h9,14H,1-7H2.
What are the key properties of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 71970777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).