3-(4-nitrophenoxy)pentanimidamide

C11H15N3O3 — CID 114996514

IUPAC3-(4-nitrophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-2-9(7-11(12)13)17-10-5-3-8(4-6-10)14(15)16/h3-6,9H,2,7H2,1H3,(H3,12,13)
InChIKeyYRTKZWAWHUJIOS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.08
Rot. Bonds6

About 3-(4-nitrophenoxy)pentanimidamide

3-(4-nitrophenoxy)pentanimidamide (PubChem CID 114996514) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(4-nitrophenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(4-nitrophenoxy)pentanimidamide
PubChem CID114996514
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(4-nitrophenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-2-9(7-11(12)13)17-10-5-3-8(4-6-10)14(15)16/h3-6,9H,2,7H2,1H3,(H3,12,13)
InChIKeyYRTKZWAWHUJIOS-UHFFFAOYSA-N
XLogP2.08
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

1-hexan-3-yloxy-4-nitrobenzene
CID 147757571
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234
(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
methyl 2-(4-nitrophenoxy)dodecanoate
CID 67897730
(E)-N-(4-nitrophenoxy)butan-2-imine
CID 11333252
pentan-3-yl 4-nitrobenzoate
CID 91720901
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenoxy)pentanimidamide?
The IUPAC name of 3-(4-nitrophenoxy)pentanimidamide (CID 114996514) is 3-(4-nitrophenoxy)pentanimidamide.
What is the SMILES notation for 3-(4-nitrophenoxy)pentanimidamide?
The canonical SMILES for 3-(4-nitrophenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenoxy)pentanimidamide?
The InChIKey is YRTKZWAWHUJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-9(7-11(12)13)17-10-5-3-8(4-6-10)14(15)16/h3-6,9H,2,7H2,1H3,(H3,12,13).
What are the key properties of 3-(4-nitrophenoxy)pentanimidamide?
3-(4-nitrophenoxy)pentanimidamide has a molecular weight of 237.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenoxy)pentanimidamide is sourced from PubChem (CID 114996514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).