1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile

C15H19N3O3 — CID 79576682

IUPAC1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCc1ccc([N+](=O)[O-])c(OCCC2CCCC2(N)C#N)c1
InChIInChI=1S/C15H19N3O3/c1-11-4-5-13(18(19)20)14(9-11)21-8-6-12-3-2-7-15(12,17)10-16/h4-5,9,12H,2-3,6-8,17H2,1H3
InChIKeyONENYRTWGSTJQA-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.69
Rot. Bonds5

About 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576682) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576682
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCc1ccc([N+](=O)[O-])c(OCCC2CCCC2(N)C#N)c1
InChIInChI=1S/C15H19N3O3/c1-11-4-5-13(18(19)20)14(9-11)21-8-6-12-3-2-7-15(12,17)10-16/h4-5,9,12H,2-3,6-8,17H2,1H3
InChIKeyONENYRTWGSTJQA-UHFFFAOYSA-N
XLogP2.69
TPSA102.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576014
1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576804
1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576810
1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79577351
1-amino-2-[2-(4-nitrophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576932
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891
4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 2995300
2-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
1-[2-(5-methyl-2-nitrophenoxy)ethyl]azepan-1-ium
CID 7442936
4-methyl-2-(3-methylbutoxy)-1-nitrobenzene
CID 66999028
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 66357396
2-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methyl-1-nitrobenzene
CID 65001287

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79576682) is 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile is Cc1ccc([N+](=O)[O-])c(OCCC2CCCC2(N)C#N)c1.
What is the InChIKey of 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is ONENYRTWGSTJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-4-5-13(18(19)20)14(9-11)21-8-6-12-3-2-7-15(12,17)10-16/h4-5,9,12H,2-3,6-8,17H2,1H3.
What are the key properties of 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 289.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).