(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine

C11H15NO — CID 170152478

IUPAC(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine
SMILESCCC1/C=C\C=C/C(/C=N/O)=C\C1
InChIInChI=1S/C11H15NO/c1-2-10-5-3-4-6-11(8-7-10)9-12-13/h3-6,8-10,13H,2,7H2,1H3/b5-3-,6-4-,11-8+,12-9+
InChIKeyTTYSNWANMKDXTO-YYRSYOBQSA-N
MW177.25 g/mol
LogP2.92
Rot. Bonds2

About (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine

(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine (PubChem CID 170152478) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine
PubChem CID170152478
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine
SMILESCCC1/C=C\C=C/C(/C=N/O)=C\C1
InChIInChI=1S/C11H15NO/c1-2-10-5-3-4-6-11(8-7-10)9-12-13/h3-6,8-10,13H,2,7H2,1H3/b5-3-,6-4-,11-8+,12-9+
InChIKeyTTYSNWANMKDXTO-YYRSYOBQSA-N
XLogP2.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine (CID 170152478) is (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine is CCC1/C=C\C=C/C(/C=N/O)=C\C1.
What is the InChIKey of (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine?
The InChIKey is TTYSNWANMKDXTO-YYRSYOBQSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-10-5-3-4-6-11(8-7-10)9-12-13/h3-6,8-10,13H,2,7H2,1H3/b5-3-,6-4-,11-8+,12-9+.
What are the key properties of (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine?
(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 170152478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).