N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide

C10H11N3O3 — CID 135965195

IUPACN'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide
SMILESN/C(=N\C1CC1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O3/c11-10(12-7-2-3-7)6-1-4-9(14)8(5-6)13(15)16/h1,4-5,7,14H,2-3H2,(H2,11,12)
InChIKeyVQBPMYIEFMVHDG-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.17
Rot. Bonds3

About N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide

N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 135965195) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID135965195
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide
SMILESN/C(=N\C1CC1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O3/c11-10(12-7-2-3-7)6-1-4-9(14)8(5-6)13(15)16/h1,4-5,7,14H,2-3H2,(H2,11,12)
InChIKeyVQBPMYIEFMVHDG-UHFFFAOYSA-N
XLogP1.17
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.17
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

(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
4-cyclopropyl-2-nitrophenol
CID 12608020
4-amino-N'-cyclopentyl-3-hydroxybenzenecarboximidamide
CID 54246980
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858
4-hydroxy-N,N-dimethyl-3-nitrobenzamide
CID 82993461
4-[(S)-amino(cyclopropyl)methyl]-2-nitrophenol;hydrochloride
CID 171219479
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 106669692
4-hydroxy-3-nitrobenzaldehyde
CID 18169
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
4-hydroxy-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 131961007
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide (CID 135965195) is N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide is N/C(=N\C1CC1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is VQBPMYIEFMVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-10(12-7-2-3-7)6-1-4-9(14)8(5-6)13(15)16/h1,4-5,7,14H,2-3H2,(H2,11,12).
What are the key properties of N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide?
N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 221.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-4-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 135965195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).