3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile

C10H17NO2 — CID 174757482

IUPAC3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile
SMILESCOCC1(C(O)CC#N)CCCC1
InChIInChI=1S/C10H17NO2/c1-13-8-10(5-2-3-6-10)9(12)4-7-11/h9,12H,2-6,8H2,1H3
InChIKeyFTUPLUBOMABIPK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds4

About 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile

3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile (PubChem CID 174757482) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile
PubChem CID174757482
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile
SMILESCOCC1(C(O)CC#N)CCCC1
InChIInChI=1S/C10H17NO2/c1-13-8-10(5-2-3-6-10)9(12)4-7-11/h9,12H,2-6,8H2,1H3
InChIKeyFTUPLUBOMABIPK-UHFFFAOYSA-N
XLogP1.47
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methoxymethyl)-1-propan-2-ylcyclohexane
CID 70370924
1-(methoxymethyl)-1-propan-2-ylcyclobutane
CID 90167872
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
1-(1-hydroxy-3-methoxypropyl)cyclohexan-1-ol
CID 69080756
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
CID 115839615
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524
1-(1-hydroxy-3,3-dimethylbutyl)cycloheptane-1-carbonitrile
CID 79132948
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
CID 115359528
tert-butyl 2-[1-[cyano(hydroxy)methyl]cyclopentyl]acetate
CID 167708398
1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol
CID 79123314
3-hydroxypentanedi(15N)nitrile
CID 25240589

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile?
The IUPAC name of 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile (CID 174757482) is 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile.
What is the SMILES notation for 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile?
The canonical SMILES for 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile is COCC1(C(O)CC#N)CCCC1.
What is the InChIKey of 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile?
The InChIKey is FTUPLUBOMABIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-8-10(5-2-3-6-10)9(12)4-7-11/h9,12H,2-6,8H2,1H3.
What are the key properties of 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile?
3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile has a molecular weight of 183.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[1-(methoxymethyl)cyclopentyl]propanenitrile is sourced from PubChem (CID 174757482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).