N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine

C11H20N4O2 — CID 136643011

IUPACN-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine
SMILES[H]/N=C(\C)C(CCCCCC(=NO)/C(C)=N/[H])=NO
InChIInChI=1S/C11H20N4O2/c1-8(12)10(14-16)6-4-3-5-7-11(15-17)9(2)13/h12-13,16-17H,3-7H2,1-2H3/b12-8+,13-9+,14-10?,15-11?
InChIKeyLHRQVMGVDAUQMZ-BGCAWOIWSA-N
MW240.31 g/mol
LogP2.68
Rot. Bonds8

About N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine

N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine (PubChem CID 136643011) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine
PubChem CID136643011
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine
SMILES[H]/N=C(\C)C(CCCCCC(=NO)/C(C)=N/[H])=NO
InChIInChI=1S/C11H20N4O2/c1-8(12)10(14-16)6-4-3-5-7-11(15-17)9(2)13/h12-13,16-17H,3-7H2,1-2H3/b12-8+,13-9+,14-10?,15-11?
InChIKeyLHRQVMGVDAUQMZ-BGCAWOIWSA-N
XLogP2.68
TPSA112.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine?
The IUPAC name of N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine (CID 136643011) is N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine is [H]/N=C(\C)C(CCCCCC(=NO)/C(C)=N/[H])=NO.
What is the InChIKey of N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine?
The InChIKey is LHRQVMGVDAUQMZ-BGCAWOIWSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(12)10(14-16)6-4-3-5-7-11(15-17)9(2)13/h12-13,16-17H,3-7H2,1-2H3/b12-8+,13-9+,14-10?,15-11?.
What are the key properties of N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine?
N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine has a molecular weight of 240.31 g/mol, XLogP of 2.68, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine is sourced from PubChem (CID 136643011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).