(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine

C12H23N3O2 — CID 135488975

IUPAC(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine
SMILESCCN1CCCCC(=N\O)/C(=N/O)CCCC1
InChIInChI=1S/C12H23N3O2/c1-2-15-9-5-3-7-11(13-16)12(14-17)8-4-6-10-15/h16-17H,2-10H2,1H3/b13-11+,14-12+
InChIKeyRAKNVXNDFBGSEL-PHEQNACWSA-N
MW241.33 g/mol
LogP2.32
Rot. Bonds1

About (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine

(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine (PubChem CID 135488975) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine
PubChem CID135488975
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine
SMILESCCN1CCCCC(=N\O)/C(=N/O)CCCC1
InChIInChI=1S/C12H23N3O2/c1-2-15-9-5-3-7-11(13-16)12(14-17)8-4-6-10-15/h16-17H,2-10H2,1H3/b13-11+,14-12+
InChIKeyRAKNVXNDFBGSEL-PHEQNACWSA-N
XLogP2.32
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine (CID 135488975) is (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine is CCN1CCCCC(=N\O)/C(=N/O)CCCC1.
What is the InChIKey of (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine?
The InChIKey is RAKNVXNDFBGSEL-PHEQNACWSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-15-9-5-3-7-11(13-16)12(14-17)8-4-6-10-15/h16-17H,2-10H2,1H3/b13-11+,14-12+.
What are the key properties of (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine?
(NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine has a molecular weight of 241.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(7E)-1-ethyl-7-hydroxyimino-azacycloundec-6-ylidene]hydroxylamine is sourced from PubChem (CID 135488975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).