(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide

C15H17N3O3 — CID 739731

IUPAC(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCC(=NNC(=O)[C@@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-10(11-4-2-5-12(8-11)18(20)21)16-17-14(19)13-9-15(13)6-3-7-15/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyBIPVDGXKWUOCRE-ZDUSSCGKSA-N
MW287.32 g/mol
LogP2.63
Rot. Bonds4

About (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide

(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide (PubChem CID 739731) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
PubChem CID739731
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
SMILESCC(=NNC(=O)[C@@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-10(11-4-2-5-12(8-11)18(20)21)16-17-14(19)13-9-15(13)6-3-7-15/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyBIPVDGXKWUOCRE-ZDUSSCGKSA-N
XLogP2.63
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

(1R,6R,7R)-1-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98198110
N-[(E)-1-(3-nitrophenyl)ethylideneamino]adamantane-1-carboxamide
CID 18528037
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351495
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 117071464
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide (CID 739731) is (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide is CC(=NNC(=O)[C@@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
The InChIKey is BIPVDGXKWUOCRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(11-4-2-5-12(8-11)18(20)21)16-17-14(19)13-9-15(13)6-3-7-15/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide?
(2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-nitrophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 739731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).