(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine

C11H22N2O2 — CID 137128745

IUPAC(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine
SMILESCCCCCCCCC(=N/O)/C(C)=N/O
InChIInChI=1S/C11H22N2O2/c1-3-4-5-6-7-8-9-11(13-15)10(2)12-14/h14-15H,3-9H2,1-2H3/b12-10+,13-11-
InChIKeySTASVDRZUAQDOS-FAEGWCMCSA-N
MW214.31 g/mol
LogP3.42
Rot. Bonds8

About (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine

(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine (PubChem CID 137128745) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine
PubChem CID137128745
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine
SMILESCCCCCCCCC(=N/O)/C(C)=N/O
InChIInChI=1S/C11H22N2O2/c1-3-4-5-6-7-8-9-11(13-15)10(2)12-14/h14-15H,3-9H2,1-2H3/b12-10+,13-11-
InChIKeySTASVDRZUAQDOS-FAEGWCMCSA-N
XLogP3.42
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine (CID 137128745) is (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine is CCCCCCCCC(=N/O)/C(C)=N/O.
What is the InChIKey of (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine?
The InChIKey is STASVDRZUAQDOS-FAEGWCMCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-5-6-7-8-9-11(13-15)10(2)12-14/h14-15H,3-9H2,1-2H3/b12-10+,13-11-.
What are the key properties of (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine?
(NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine has a molecular weight of 214.31 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2E)-2-hydroxyiminoundecan-3-ylidene]hydroxylamine is sourced from PubChem (CID 137128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).