(9E)-9-hydroxyiminononanoic acid

C9H17NO3 — CID 135344053

IUPAC(9E)-9-hydroxyiminononanoic acid
SMILESO=C(O)CCCCCCC/C=N/O
InChIInChI=1S/C9H17NO3/c11-9(12)7-5-3-1-2-4-6-8-10-13/h8,13H,1-7H2,(H,11,12)/b10-8+
InChIKeyPGEZBVONGGOXCM-CSKARUKUSA-N
MW187.24 g/mol
LogP2.26
Rot. Bonds8

About (9E)-9-hydroxyiminononanoic acid

(9E)-9-hydroxyiminononanoic acid (PubChem CID 135344053) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (9E)-9-hydroxyiminononanoic acid.

Molecular Properties

Compound Name(9E)-9-hydroxyiminononanoic acid
PubChem CID135344053
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(9E)-9-hydroxyiminononanoic acid
SMILESO=C(O)CCCCCCC/C=N/O
InChIInChI=1S/C9H17NO3/c11-9(12)7-5-3-1-2-4-6-8-10-13/h8,13H,1-7H2,(H,11,12)/b10-8+
InChIKeyPGEZBVONGGOXCM-CSKARUKUSA-N
XLogP2.26
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

8-hydrazinylideneoctanoic acid
CID 88746391
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
potassium;8-bromooctanoic acid;(8E)-8-hydroxyiminooctanoic acid;8-hydroxyoctanoic acid;8-oxooctanoic acid;hydroxide
CID 172957193
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129

Frequently Asked Questions

What is the IUPAC name of (9E)-9-hydroxyiminononanoic acid?
The IUPAC name of (9E)-9-hydroxyiminononanoic acid (CID 135344053) is (9E)-9-hydroxyiminononanoic acid.
What is the SMILES notation for (9E)-9-hydroxyiminononanoic acid?
The canonical SMILES for (9E)-9-hydroxyiminononanoic acid is O=C(O)CCCCCCC/C=N/O.
What is the InChIKey of (9E)-9-hydroxyiminononanoic acid?
The InChIKey is PGEZBVONGGOXCM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17NO3/c11-9(12)7-5-3-1-2-4-6-8-10-13/h8,13H,1-7H2,(H,11,12)/b10-8+.
What are the key properties of (9E)-9-hydroxyiminononanoic acid?
(9E)-9-hydroxyiminononanoic acid has a molecular weight of 187.24 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-hydroxyiminononanoic acid is sourced from PubChem (CID 135344053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).