N-(cyclopentylideneamino)-4-nitroaniline

C11H13N3O2 — CID 10987763

IUPACN-(cyclopentylideneamino)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C2CCCC2)cc1
InChIInChI=1S/C11H13N3O2/c15-14(16)11-7-5-10(6-8-11)13-12-9-3-1-2-4-9/h5-8,13H,1-4H2
InChIKeyQPYVOOSFOUFJIS-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.94
Rot. Bonds3

About N-(cyclopentylideneamino)-4-nitroaniline

N-(cyclopentylideneamino)-4-nitroaniline (PubChem CID 10987763) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-nitroaniline.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-nitroaniline
PubChem CID10987763
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(cyclopentylideneamino)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C2CCCC2)cc1
InChIInChI=1S/C11H13N3O2/c15-14(16)11-7-5-10(6-8-11)13-12-9-3-1-2-4-9/h5-8,13H,1-4H2
InChIKeyQPYVOOSFOUFJIS-UHFFFAOYSA-N
XLogP2.94
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.94
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

(4-Nitrophenyl)hydrazine
CID 3310889
Cyclohexanone 2,4-dinitrophenylhydrazone
CID 74117
4-Nitrodiazoaminobenzene
CID 250380
2-Butanone, (2,4-dinitrophenyl)hydrazone
CID 9562263
2-Propanone, 2-(2,4-dinitrophenyl)hydrazone
CID 74069
2-(2-(4-Nitrophenyl)hydrazinylidene)propanedinitrile
CID 19495
3-Pentanone, (2,4-dinitrophenyl)hydrazone
CID 219591
(1e)-1,3-Bis(4-nitrophenyl)triaz-1-ene
CID 221501
1-Methyl-3-(4-nitrophenyl)-1-triazene
CID 94508
Cyclohexanone (4-nitrophenyl)hydrazone
CID 616169
(1E)-2-amino-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide
CID 6385598
4-Nitrophenylhydrazine hydrochloride
CID 5463401

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-nitroaniline?
The IUPAC name of N-(cyclopentylideneamino)-4-nitroaniline (CID 10987763) is N-(cyclopentylideneamino)-4-nitroaniline.
What is the SMILES notation for N-(cyclopentylideneamino)-4-nitroaniline?
The canonical SMILES for N-(cyclopentylideneamino)-4-nitroaniline is O=[N+]([O-])c1ccc(NN=C2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-nitroaniline?
The InChIKey is QPYVOOSFOUFJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-14(16)11-7-5-10(6-8-11)13-12-9-3-1-2-4-9/h5-8,13H,1-4H2.
What are the key properties of N-(cyclopentylideneamino)-4-nitroaniline?
N-(cyclopentylideneamino)-4-nitroaniline has a molecular weight of 219.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-nitroaniline is sourced from PubChem (CID 10987763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).