(5E)-5-hydroxyiminopentanenitrile

C5H8N2O — CID 10011867

IUPAC(5E)-5-hydroxyiminopentanenitrile
SMILESN#CCCC/C=N/O
InChIInChI=1S/C5H8N2O/c6-4-2-1-3-5-7-8/h5,8H,1-3H2/b7-5+
InChIKeyIOWJVHNYBAPCKF-FNORWQNLSA-N
MW112.13 g/mol
LogP1.14
Rot. Bonds3

About (5E)-5-hydroxyiminopentanenitrile

(5E)-5-hydroxyiminopentanenitrile (PubChem CID 10011867) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (5E)-5-hydroxyiminopentanenitrile.

Molecular Properties

Compound Name(5E)-5-hydroxyiminopentanenitrile
PubChem CID10011867
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(5E)-5-hydroxyiminopentanenitrile
SMILESN#CCCC/C=N/O
InChIInChI=1S/C5H8N2O/c6-4-2-1-3-5-7-8/h5,8H,1-3H2/b7-5+
InChIKeyIOWJVHNYBAPCKF-FNORWQNLSA-N
XLogP1.14
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5Z)-5-hydroxyiminopentylidene]hydroxylamine
CID 5356166
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
N-hept-6-enylidenehydroxylamine
CID 153435939
(E)-7-methyloct-5-enenitrile
CID 124660499
N-dec-9-enylidenehydroxylamine
CID 175541628
(NE)-N-octylidenehydroxylamine
CID 5385260
oct-7-enenitrile
CID 10909562
(E)-6-iodohex-5-enenitrile
CID 10966062
henicosanedinitrile
CID 87345062
4-but-3-enylsulfanylbutanenitrile
CID 126992432
7-trimethylsilyloxyiminoheptanenitrile
CID 140887661
octa-5,7-dienenitrile
CID 71403851

Frequently Asked Questions

What is the IUPAC name of (5E)-5-hydroxyiminopentanenitrile?
The IUPAC name of (5E)-5-hydroxyiminopentanenitrile (CID 10011867) is (5E)-5-hydroxyiminopentanenitrile.
What is the SMILES notation for (5E)-5-hydroxyiminopentanenitrile?
The canonical SMILES for (5E)-5-hydroxyiminopentanenitrile is N#CCCC/C=N/O.
What is the InChIKey of (5E)-5-hydroxyiminopentanenitrile?
The InChIKey is IOWJVHNYBAPCKF-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8N2O/c6-4-2-1-3-5-7-8/h5,8H,1-3H2/b7-5+.
What are the key properties of (5E)-5-hydroxyiminopentanenitrile?
(5E)-5-hydroxyiminopentanenitrile has a molecular weight of 112.13 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyiminopentanenitrile is sourced from PubChem (CID 10011867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).