3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile

C10H17NO2 — CID 103376453

IUPAC3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile
SMILESCC(C#N)(CC1CC1)OCCCO
InChIInChI=1S/C10H17NO2/c1-10(8-11,7-9-3-4-9)13-6-2-5-12/h9,12H,2-7H2,1H3
InChIKeyYDGPOBWLHJUJGL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds6

About 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile

3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile (PubChem CID 103376453) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile
PubChem CID103376453
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile
SMILESCC(C#N)(CC1CC1)OCCCO
InChIInChI=1S/C10H17NO2/c1-10(8-11,7-9-3-4-9)13-6-2-5-12/h9,12H,2-7H2,1H3
InChIKeyYDGPOBWLHJUJGL-UHFFFAOYSA-N
XLogP1.47
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile?
The IUPAC name of 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile (CID 103376453) is 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile.
What is the SMILES notation for 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile?
The canonical SMILES for 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile is CC(C#N)(CC1CC1)OCCCO.
What is the InChIKey of 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile?
The InChIKey is YDGPOBWLHJUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(8-11,7-9-3-4-9)13-6-2-5-12/h9,12H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile?
3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile has a molecular weight of 183.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile is sourced from PubChem (CID 103376453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).