(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

C20H24N2O4 — CID 7640466

IUPAC(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12
InChIInChI=1S/C20H24N2O4/c23-18-13-14(22(25)26)11-12-17(18)21-20(24)19-15-9-7-5-3-1-2-4-6-8-10-16(15)19/h3-6,11-13,15-16,19,23H,1-2,7-10H2,(H,21,24)/b5-3-,6-4+/t15-,16+,19?/m1/s1
InChIKeyYWCQKKGLXGBROQ-CJSKEXKKSA-N
MW356.42 g/mol
LogP4.57
Rot. Bonds3

About (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (PubChem CID 7640466) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.

Molecular Properties

Compound Name(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
PubChem CID7640466
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12
InChIInChI=1S/C20H24N2O4/c23-18-13-14(22(25)26)11-12-17(18)21-20(24)19-15-9-7-5-3-1-2-4-6-8-10-16(15)19/h3-6,11-13,15-16,19,23H,1-2,7-10H2,(H,21,24)/b5-3-,6-4+/t15-,16+,19?/m1/s1
InChIKeyYWCQKKGLXGBROQ-CJSKEXKKSA-N
XLogP4.57
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.57
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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Related Compounds

(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5286985
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7719959
(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5390129
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
N-(2-hydroxy-4-nitrophenyl)-1,1-dioxothiane-2-carboxamide
CID 107745484
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
(1S)-N-(2-hydroxy-4-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7493615
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The IUPAC name of (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (CID 7640466) is (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.
What is the SMILES notation for (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The canonical SMILES for (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12.
What is the InChIKey of (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The InChIKey is YWCQKKGLXGBROQ-CJSKEXKKSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-18-13-14(22(25)26)11-12-17(18)21-20(24)19-15-9-7-5-3-1-2-4-6-8-10-16(15)19/h3-6,11-13,15-16,19,23H,1-2,7-10H2,(H,21,24)/b5-3-,6-4+/t15-,16+,19?/m1/s1.
What are the key properties of (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is sourced from PubChem (CID 7640466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).