(4R)-4-formylhexanenitrile

C7H11NO — CID 134862093

IUPAC(4R)-4-formylhexanenitrile
SMILESCC[C@@H](C=O)CCC#N
InChIInChI=1S/C7H11NO/c1-2-7(6-9)4-3-5-8/h6-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyAZTDLROTSCCDMC-SSDOTTSWSA-N
MW125.17 g/mol
LogP1.52
Rot. Bonds4

About (4R)-4-formylhexanenitrile

(4R)-4-formylhexanenitrile (PubChem CID 134862093) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4R)-4-formylhexanenitrile.

Molecular Properties

Compound Name(4R)-4-formylhexanenitrile
PubChem CID134862093
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4R)-4-formylhexanenitrile
SMILESCC[C@@H](C=O)CCC#N
InChIInChI=1S/C7H11NO/c1-2-7(6-9)4-3-5-8/h6-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyAZTDLROTSCCDMC-SSDOTTSWSA-N
XLogP1.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-formylhexanenitrile?
The IUPAC name of (4R)-4-formylhexanenitrile (CID 134862093) is (4R)-4-formylhexanenitrile.
What is the SMILES notation for (4R)-4-formylhexanenitrile?
The canonical SMILES for (4R)-4-formylhexanenitrile is CC[C@@H](C=O)CCC#N.
What is the InChIKey of (4R)-4-formylhexanenitrile?
The InChIKey is AZTDLROTSCCDMC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(6-9)4-3-5-8/h6-7H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-4-formylhexanenitrile?
(4R)-4-formylhexanenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-formylhexanenitrile is sourced from PubChem (CID 134862093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).