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

C14H17N3O3 — CID 79576014

IUPAC1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c15-10-14(16)8-3-4-11(14)7-9-20-13-6-2-1-5-12(13)17(18)19/h1-2,5-6,11H,3-4,7-9,16H2
InChIKeyNBPZMMQAGMMAAF-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.38
Rot. Bonds5

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

1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576014) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576014
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c15-10-14(16)8-3-4-11(14)7-9-20-13-6-2-1-5-12(13)17(18)19/h1-2,5-6,11H,3-4,7-9,16H2
InChIKeyNBPZMMQAGMMAAF-UHFFFAOYSA-N
XLogP2.38
TPSA102.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.38
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-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576682
1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile
CID 79576663
1-amino-2-[2-(4-nitrophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576932
1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576804
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891
5-(2-nitrophenoxy)pentanenitrile
CID 60645555
1-(3-aminopiperidin-1-yl)-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 119379852
2,2-dimethyl-4-(2-nitrophenoxy)butanenitrile
CID 65256818
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
2-(5-methylthiophen-2-yl)-1-[2-(2-nitrophenoxy)ethyl]pyrrolidine
CID 86953318

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79576014) is 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is NBPZMMQAGMMAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-10-14(16)8-3-4-11(14)7-9-20-13-6-2-1-5-12(13)17(18)19/h1-2,5-6,11H,3-4,7-9,16H2.
What are the key properties of 1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 2.38, 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-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).