4-hydroxy-4-methyl-3-methylidenepentanenitrile

C7H11NO — CID 134832750

IUPAC4-hydroxy-4-methyl-3-methylidenepentanenitrile
SMILESC=C(CC#N)C(C)(C)O
InChIInChI=1S/C7H11NO/c1-6(4-5-8)7(2,3)9/h9H,1,4H2,2-3H3
InChIKeyQDRRJOXXTRLQAE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.23
Rot. Bonds2

About 4-hydroxy-4-methyl-3-methylidenepentanenitrile

4-hydroxy-4-methyl-3-methylidenepentanenitrile (PubChem CID 134832750) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-3-methylidenepentanenitrile.

Molecular Properties

Compound Name4-hydroxy-4-methyl-3-methylidenepentanenitrile
PubChem CID134832750
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-hydroxy-4-methyl-3-methylidenepentanenitrile
SMILESC=C(CC#N)C(C)(C)O
InChIInChI=1S/C7H11NO/c1-6(4-5-8)7(2,3)9/h9H,1,4H2,2-3H3
InChIKeyQDRRJOXXTRLQAE-UHFFFAOYSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-3-methyl-2-methylidenepentanenitrile
CID 12406950
3-Hydroxy-3-methyl-2-methylidenebutanenitrile
CID 14222398
(2R)-2-hydroxy-2-methylhex-5-enenitrile
CID 15073275
2,5-Dimethyl-2-hydroxy-5-hexenenitrile
CID 20432101
2-Hydroxy-2,3-dimethylbut-3-enenitrile
CID 21816321
2-Hydroxy-2-methylhex-5-enenitrile
CID 22561336
3-Hydroxy-3,4-dimethylpent-4-enenitrile
CID 12522363

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-3-methylidenepentanenitrile?
The IUPAC name of 4-hydroxy-4-methyl-3-methylidenepentanenitrile (CID 134832750) is 4-hydroxy-4-methyl-3-methylidenepentanenitrile.
What is the SMILES notation for 4-hydroxy-4-methyl-3-methylidenepentanenitrile?
The canonical SMILES for 4-hydroxy-4-methyl-3-methylidenepentanenitrile is C=C(CC#N)C(C)(C)O.
What is the InChIKey of 4-hydroxy-4-methyl-3-methylidenepentanenitrile?
The InChIKey is QDRRJOXXTRLQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(4-5-8)7(2,3)9/h9H,1,4H2,2-3H3.
What are the key properties of 4-hydroxy-4-methyl-3-methylidenepentanenitrile?
4-hydroxy-4-methyl-3-methylidenepentanenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-3-methylidenepentanenitrile is sourced from PubChem (CID 134832750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).