(4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C16H18N2O4 — CID 5335587

IUPAC(4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1C2CC/C=C\CCC21
InChIInChI=1S/C16H18N2O4/c19-14-9-10(18(21)22)7-8-13(14)17-16(20)15-11-5-3-1-2-4-6-12(11)15/h1-2,7-9,11-12,15,19H,3-6H2,(H,17,20)/b2-1-
InChIKeyWAYPPSKMSVGURY-UPHRSURJSA-N
MW302.33 g/mol
LogP3.23
Rot. Bonds3

About (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

(4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 5335587) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID5335587
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1C2CC/C=C\CCC21
InChIInChI=1S/C16H18N2O4/c19-14-9-10(18(21)22)7-8-13(14)17-16(20)15-11-5-3-1-2-4-6-12(11)15/h1-2,7-9,11-12,15,19H,3-6H2,(H,17,20)/b2-1-
InChIKeyWAYPPSKMSVGURY-UPHRSURJSA-N
XLogP3.23
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 5335587) is (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)C1C2CC/C=C\CCC21.
What is the InChIKey of (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is WAYPPSKMSVGURY-UPHRSURJSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14-9-10(18(21)22)7-8-13(14)17-16(20)15-11-5-3-1-2-4-6-12(11)15/h1-2,7-9,11-12,15,19H,3-6H2,(H,17,20)/b2-1-.
What are the key properties of (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
(4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(2-hydroxy-4-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 5335587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).