2-ethyl-3-hydroxyheptanenitrile

C9H17NO — CID 79131820

IUPAC2-ethyl-3-hydroxyheptanenitrile
SMILESCCCCC(O)C(C#N)CC
InChIInChI=1S/C9H17NO/c1-3-5-6-9(11)8(4-2)7-10/h8-9,11H,3-6H2,1-2H3
InChIKeyGMGVJGQTOIRQRQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.09
Rot. Bonds5

About 2-ethyl-3-hydroxyheptanenitrile

2-ethyl-3-hydroxyheptanenitrile (PubChem CID 79131820) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-ethyl-3-hydroxyheptanenitrile.

Molecular Properties

Compound Name2-ethyl-3-hydroxyheptanenitrile
PubChem CID79131820
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-ethyl-3-hydroxyheptanenitrile
SMILESCCCCC(O)C(C#N)CC
InChIInChI=1S/C9H17NO/c1-3-5-6-9(11)8(4-2)7-10/h8-9,11H,3-6H2,1-2H3
InChIKeyGMGVJGQTOIRQRQ-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-hydroxyheptanenitrile 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

2-ethyl-3-hydroxyhexanenitrile
CID 79132579
(3S)-3-hydroxy-2-propylhexanenitrile
CID 176920962
(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
CID 15399341
(3S,4S)-octane-3,4-diol
CID 132990515
6,7-diethyldodecane-5,8-diol
CID 166728697
2-(1-hydroxybutyl)-10-methylundecanenitrile
CID 175333216
(2S,3R)-3-hydroxy-2-methyldecanenitrile
CID 50900060
3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
CID 54373912
2,4-diethyl-3-hydroxyhexanenitrile
CID 79136880
CID 172720711
CID 172720711
octadecane-5,9,10,14-tetrol
CID 123917796
1,1-dichlorohexan-2-ol
CID 11019309

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxyheptanenitrile?
The IUPAC name of 2-ethyl-3-hydroxyheptanenitrile (CID 79131820) is 2-ethyl-3-hydroxyheptanenitrile.
What is the SMILES notation for 2-ethyl-3-hydroxyheptanenitrile?
The canonical SMILES for 2-ethyl-3-hydroxyheptanenitrile is CCCCC(O)C(C#N)CC.
What is the InChIKey of 2-ethyl-3-hydroxyheptanenitrile?
The InChIKey is GMGVJGQTOIRQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-6-9(11)8(4-2)7-10/h8-9,11H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxyheptanenitrile?
2-ethyl-3-hydroxyheptanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxyheptanenitrile is sourced from PubChem (CID 79131820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).