(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C17H20N2O3 — CID 5286985

IUPAC(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1C2CC/C=C\CCC21
InChIInChI=1S/C17H20N2O3/c1-11-8-9-12(19(21)22)10-15(11)18-17(20)16-13-6-4-2-3-5-7-14(13)16/h2-3,8-10,13-14,16H,4-7H2,1H3,(H,18,20)/b3-2-
InChIKeyRXQQVOZRUATOPJ-IHWYPQMZSA-N
MW300.36 g/mol
LogP3.83
Rot. Bonds3

About (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 5286985) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID5286985
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1C2CC/C=C\CCC21
InChIInChI=1S/C17H20N2O3/c1-11-8-9-12(19(21)22)10-15(11)18-17(20)16-13-6-4-2-3-5-7-14(13)16/h2-3,8-10,13-14,16H,4-7H2,1H3,(H,18,20)/b3-2-
InChIKeyRXQQVOZRUATOPJ-IHWYPQMZSA-N
XLogP3.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.83
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

1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7640466
(1S,8R,9S)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 1279422
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
(1R,2S,3R,4R)-3-[(2-methyl-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98260466
(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5390129
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7719959
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 5286985) is (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C2CC/C=C\CCC21.
What is the InChIKey of (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is RXQQVOZRUATOPJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-8-9-12(19(21)22)10-15(11)18-17(20)16-13-6-4-2-3-5-7-14(13)16/h2-3,8-10,13-14,16H,4-7H2,1H3,(H,18,20)/b3-2-.
What are the key properties of (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 5286985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).