(NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine

C16H18N2O2 — CID 125028655

About (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine

(NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine (PubChem CID 125028655) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine
• PubChem CID: 125028655
• Molecular Formula: C16H18N2O2
• Molecular Weight: 270.33 g/mol
• Exact Mass: 270.14
• IUPAC Name: (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine
• SMILES: O/N=C1/C[C@H]2[C@H]3C/C(=N/O)[C@H]4[C@H]3C3C5[C@@H](C=C[C@@H]54)[C@@H]1[C@@H]32
• InChI: InChI=1S/C16H18N2O2/c19-17-9-3-7-8-4-10(18-20)13-6-2-1-5-11(6)16(15(8)13)14(7)12(5)9/h1-2,5-8,11-16,19-20H,3-4H2/b17-9-,18-10-/t5-,6+,7+,8-,11?,12-,13-,14-,15-,16?/m0/s1
• InChIKey: OVLMSHCCXMWFEX-MVRQCHLGSA-N
• XLogP: 2.23
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.33
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine?

The IUPAC name of (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine (CID 125028655) is (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine.

What is the SMILES notation for (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine?

The canonical SMILES for (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine is O/N=C1/C[C@H]2[C@H]3C/C(=N/O)[C@H]4[C@H]3C3C5[C@@H](C=C[C@@H]54)[C@@H]1[C@@H]32.

What is the InChIKey of (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine?

The InChIKey is OVLMSHCCXMWFEX-MVRQCHLGSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-17-9-3-7-8-4-10(18-20)13-6-2-1-5-11(6)16(15(8)13)14(7)12(5)9/h1-2,5-8,11-16,19-20H,3-4H2/b17-9-,18-10-/t5-,6+,7+,8-,11?,12-,13-,14-,15-,16?/m0/s1.

What are the key properties of (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine?

(NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine has a molecular weight of 270.33 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[(2R,3R,6R,7S,9Z,10R,11R,14S,16R)-9-hydroxyimino-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enylidene]hydroxylamine is sourced from PubChem (CID 125028655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).