(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C16H18N2O3 — CID 5390129

IUPAC(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1[C@@H]2CC/C=C\CC[C@@H]12
InChIInChI=1S/C16H18N2O3/c19-16(15-13-8-3-1-2-4-9-14(13)15)17-11-6-5-7-12(10-11)18(20)21/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,17,19)/b2-1-/t13-,14-/m1/s1
InChIKeyPTVHKBNXYKHEEV-KOMGFDSOSA-N
MW286.33 g/mol
LogP3.53
Rot. Bonds3

About (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 5390129) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID5390129
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1[C@@H]2CC/C=C\CC[C@@H]12
InChIInChI=1S/C16H18N2O3/c19-16(15-13-8-3-1-2-4-9-14(13)15)17-11-6-5-7-12(10-11)18(20)21/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,17,19)/b2-1-/t13-,14-/m1/s1
InChIKeyPTVHKBNXYKHEEV-KOMGFDSOSA-N
XLogP3.53
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7719959
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11836641
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
(15S,16S)-16-[(3-nitrophenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6990180
(1S,6S)-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 776384
(1R,3S,6R,7R,9R)-N-(3-nitrophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 934437
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 5390129) is (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@@H]2CC/C=C\CC[C@@H]12.
What is the InChIKey of (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is PTVHKBNXYKHEEV-KOMGFDSOSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(15-13-8-3-1-2-4-9-14(13)15)17-11-6-5-7-12(10-11)18(20)21/h1-2,5-7,10,13-15H,3-4,8-9H2,(H,17,19)/b2-1-/t13-,14-/m1/s1.
What are the key properties of (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 5390129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).