5-(oxiran-2-yl)pentanenitrile

C7H11NO — CID 11789208

IUPAC5-(oxiran-2-yl)pentanenitrile
SMILESN#CCCCCC1CO1
InChIInChI=1S/C7H11NO/c8-5-3-1-2-4-7-6-9-7/h7H,1-4,6H2
InChIKeyCVRAKIJWDPAJLD-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.47
Rot. Bonds4

About 5-(oxiran-2-yl)pentanenitrile

5-(oxiran-2-yl)pentanenitrile (PubChem CID 11789208) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(oxiran-2-yl)pentanenitrile.

Molecular Properties

Compound Name5-(oxiran-2-yl)pentanenitrile
PubChem CID11789208
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-(oxiran-2-yl)pentanenitrile
SMILESN#CCCCCC1CO1
InChIInChI=1S/C7H11NO/c8-5-3-1-2-4-7-6-9-7/h7H,1-4,6H2
InChIKeyCVRAKIJWDPAJLD-UHFFFAOYSA-N
XLogP1.47
TPSA36.32 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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-yl)pentanenitrile?
The IUPAC name of 5-(oxiran-2-yl)pentanenitrile (CID 11789208) is 5-(oxiran-2-yl)pentanenitrile.
What is the SMILES notation for 5-(oxiran-2-yl)pentanenitrile?
The canonical SMILES for 5-(oxiran-2-yl)pentanenitrile is N#CCCCCC1CO1.
What is the InChIKey of 5-(oxiran-2-yl)pentanenitrile?
The InChIKey is CVRAKIJWDPAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-3-1-2-4-7-6-9-7/h7H,1-4,6H2.
What are the key properties of 5-(oxiran-2-yl)pentanenitrile?
5-(oxiran-2-yl)pentanenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-yl)pentanenitrile is sourced from PubChem (CID 11789208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).