3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile

C10H15NO2 — CID 103715793

IUPAC3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile
SMILESN#CC1(C(O)C2CC2)CCCOC1
InChIInChI=1S/C10H15NO2/c11-6-10(4-1-5-13-7-10)9(12)8-2-3-8/h8-9,12H,1-5,7H2
InChIKeyRKGJFMYVIPSGCZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

About 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile

3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile (PubChem CID 103715793) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile
PubChem CID103715793
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile
SMILESN#CC1(C(O)C2CC2)CCCOC1
InChIInChI=1S/C10H15NO2/c11-6-10(4-1-5-13-7-10)9(12)8-2-3-8/h8-9,12H,1-5,7H2
InChIKeyRKGJFMYVIPSGCZ-UHFFFAOYSA-N
XLogP1.08
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile
CID 79132653
1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
CID 79132459
1-[hydroxy(oxolan-3-yl)methyl]cycloheptane-1-carbonitrile
CID 79136550
3-(1-hydroxy-3-methylbutyl)oxane-3-carbonitrile
CID 103715810
1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80603929
1-[hydroxy(oxan-4-yl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132465
3-[(3,5-dichlorophenyl)-hydroxymethyl]oxane-3-carbonitrile
CID 103715802
3-[hydroxy(thiophen-3-yl)methyl]oxane-3-carbonitrile
CID 103715741
3-[(4,5-dibromofuran-2-yl)-hydroxymethyl]oxane-3-carbonitrile
CID 103715740
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
3-[(3,4-dichlorophenyl)-hydroxymethyl]oxane-3-carbonitrile
CID 113246791
3-[hydroxy-(1-methylpyrazol-4-yl)methyl]oxane-3-carbonitrile
CID 103715747

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile?
The IUPAC name of 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile (CID 103715793) is 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile is N#CC1(C(O)C2CC2)CCCOC1.
What is the InChIKey of 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile?
The InChIKey is RKGJFMYVIPSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-6-10(4-1-5-13-7-10)9(12)8-2-3-8/h8-9,12H,1-5,7H2.
What are the key properties of 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile?
3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile is sourced from PubChem (CID 103715793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).