ethane;5-hydroxypentanenitrile

C7H15NO — CID 144859936

IUPACethane;5-hydroxypentanenitrile
SMILESCC.N#CCCCCO
InChIInChI=1S/C5H9NO.C2H6/c6-4-2-1-3-5-7;1-2/h7H,1-3,5H2;1-2H3
InChIKeyBKCVGYHCVYATQY-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.70
Rot. Bonds3

About ethane;5-hydroxypentanenitrile

ethane;5-hydroxypentanenitrile (PubChem CID 144859936) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;5-hydroxypentanenitrile.

Molecular Properties

Compound Nameethane;5-hydroxypentanenitrile
PubChem CID144859936
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;5-hydroxypentanenitrile
SMILESCC.N#CCCCCO
InChIInChI=1S/C5H9NO.C2H6/c6-4-2-1-3-5-7;1-2/h7H,1-3,5H2;1-2H3
InChIKeyBKCVGYHCVYATQY-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448
henicosanedinitrile
CID 87345062
butane;bis(1,5-dipropoxy-3-(2-propoxyethyl)pentane);hexane;hexanenitrile;tetrakis(pentane);pentan-1-ol;propan-1-ol
CID 157123343
2-cyanoethyl-(3-hydroxypropyl)-sulfanylidenephosphanium
CID 91391663
4-bromo-7-hydroxyheptanenitrile
CID 138980150
octadecanenitrile
CID 12532
4-bromobutanenitrile;5-bromopentanenitrile
CID 88806001
undecanenitrile
CID 16722
6-[2-(dimethylamino)ethyl]-11-hydroxy-8-(3-hydroxypropyl)undecanenitrile
CID 173201609
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
6-methylheptanenitrile
CID 22036153
5-[4-cyanobutyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]pentanenitrile
CID 88853553

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxypentanenitrile?
The IUPAC name of ethane;5-hydroxypentanenitrile (CID 144859936) is ethane;5-hydroxypentanenitrile.
What is the SMILES notation for ethane;5-hydroxypentanenitrile?
The canonical SMILES for ethane;5-hydroxypentanenitrile is CC.N#CCCCCO.
What is the InChIKey of ethane;5-hydroxypentanenitrile?
The InChIKey is BKCVGYHCVYATQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c6-4-2-1-3-5-7;1-2/h7H,1-3,5H2;1-2H3.
What are the key properties of ethane;5-hydroxypentanenitrile?
ethane;5-hydroxypentanenitrile has a molecular weight of 129.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxypentanenitrile is sourced from PubChem (CID 144859936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).