2-nitro-N'-propylbenzenecarboximidamide

C10H13N3O2 — CID 63181586

IUPAC2-nitro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-2-7-12-10(11)8-5-3-4-6-9(8)13(14)15/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyNMOGPBRGISFBEU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.71
Rot. Bonds4

About 2-nitro-N'-propylbenzenecarboximidamide

2-nitro-N'-propylbenzenecarboximidamide (PubChem CID 63181586) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-nitro-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name2-nitro-N'-propylbenzenecarboximidamide
PubChem CID63181586
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-nitro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-2-7-12-10(11)8-5-3-4-6-9(8)13(14)15/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyNMOGPBRGISFBEU-UHFFFAOYSA-N
XLogP1.71
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 174514622
2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
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CID 146503295
diethyl 2-(2-nitrobenzoyl)propanedioate
CID 5002686
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
diethyl 2-[4-(2-nitrophenyl)-4-oxobutan-2-yl]propanedioate
CID 135000428
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932
ethyl N-(2-nitrobenzoyl)carbamate
CID 154155950
ethoxycarbonyl 2-nitrobenzoate
CID 19805482
benzene;2-nitrobenzoic acid
CID 19891435

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-propylbenzenecarboximidamide?
The IUPAC name of 2-nitro-N'-propylbenzenecarboximidamide (CID 63181586) is 2-nitro-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 2-nitro-N'-propylbenzenecarboximidamide?
The canonical SMILES for 2-nitro-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-propylbenzenecarboximidamide?
The InChIKey is NMOGPBRGISFBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-7-12-10(11)8-5-3-4-6-9(8)13(14)15/h3-6H,2,7H2,1H3,(H2,11,12).
What are the key properties of 2-nitro-N'-propylbenzenecarboximidamide?
2-nitro-N'-propylbenzenecarboximidamide has a molecular weight of 207.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 63181586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).