N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide

C14H15N3O3 — CID 6544583

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h1-2,6-11H,3-5H2,(H,16,18)/b15-10-/t11-/m0/s1
InChIKeyFHXWLGINIZJLPX-SAIXKJTDSA-N
MW273.29 g/mol
LogP2.67
Rot. Bonds4

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide (PubChem CID 6544583) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
PubChem CID6544583
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h1-2,6-11H,3-5H2,(H,16,18)/b15-10-/t11-/m0/s1
InChIKeyFHXWLGINIZJLPX-SAIXKJTDSA-N
XLogP2.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5116779
N-(cyclohexylmethylideneamino)-4-nitrobenzamide
CID 4625468
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
CID 2847162
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-nitrobenzamide
CID 7104045
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 7392718
N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
CID 3942761
N-cyclopent-2-en-1-yl-4-nitrobenzamide
CID 14688662
N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
CID 42065755
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 9069645
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
N-[(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5022833

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide (CID 6544583) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide is O=C(N/N=C\[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide?
The InChIKey is FHXWLGINIZJLPX-SAIXKJTDSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h1-2,6-11H,3-5H2,(H,16,18)/b15-10-/t11-/m0/s1.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide has a molecular weight of 273.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 6544583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).