N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide

C18H24N4O4 — CID 9272405

IUPACN'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C18H24N4O4/c23-17(13-6-2-1-3-7-13)19-20-18(24)15-12-14(22(25)26)8-9-16(15)21-10-4-5-11-21/h8-9,12-13H,1-7,10-11H2,(H,19,23)(H,20,24)
InChIKeyUCEUYCWSILKHDA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.54
Rot. Bonds4

About N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide

N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide (PubChem CID 9272405) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
PubChem CID9272405
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C18H24N4O4/c23-17(13-6-2-1-3-7-13)19-20-18(24)15-12-14(22(25)26)8-9-16(15)21-10-4-5-11-21/h8-9,12-13H,1-7,10-11H2,(H,19,23)(H,20,24)
InChIKeyUCEUYCWSILKHDA-UHFFFAOYSA-N
XLogP2.54
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
(4-methylpiperidin-1-yl)-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 51143218
N'-[3-(dimethylamino)benzoyl]-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 29366071
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperidin-1-ylbenzamide
CID 26378988
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-nitrobenzamide
CID 133499059
[2-(cyclopentylamino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7837411
2-[3-(azepan-1-yl)piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 133454478
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone
CID 9225484

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide (CID 9272405) is N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide is O=C(NNC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1.
What is the InChIKey of N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
The InChIKey is UCEUYCWSILKHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-17(13-6-2-1-3-7-13)19-20-18(24)15-12-14(22(25)26)8-9-16(15)21-10-4-5-11-21/h8-9,12-13H,1-7,10-11H2,(H,19,23)(H,20,24).
What are the key properties of N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide has a molecular weight of 360.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide is sourced from PubChem (CID 9272405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).