N-(2-methoxy-5-nitrophenyl)propanehydrazide

C10H13N3O4 — CID 71146725

IUPACN-(2-methoxy-5-nitrophenyl)propanehydrazide
SMILESCCC(=O)N(N)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H13N3O4/c1-3-10(14)12(11)8-6-7(13(15)16)4-5-9(8)17-2/h4-6H,3,11H2,1-2H3
InChIKeyUXNOJWGUMWLYLO-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.22
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)propanehydrazide

N-(2-methoxy-5-nitrophenyl)propanehydrazide (PubChem CID 71146725) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)propanehydrazide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)propanehydrazide
PubChem CID71146725
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-(2-methoxy-5-nitrophenyl)propanehydrazide
SMILESCCC(=O)N(N)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H13N3O4/c1-3-10(14)12(11)8-6-7(13(15)16)4-5-9(8)17-2/h4-6H,3,11H2,1-2H3
InChIKeyUXNOJWGUMWLYLO-UHFFFAOYSA-N
XLogP1.22
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
CID 18980103
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
1-(2-methoxy-5-nitrophenyl)-1-propylthiourea
CID 18322274
(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
ethyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370237
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 134044889
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
N-(2,4-dinitrophenyl)butanehydrazide
CID 132775513

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)propanehydrazide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)propanehydrazide (CID 71146725) is N-(2-methoxy-5-nitrophenyl)propanehydrazide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)propanehydrazide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)propanehydrazide is CCC(=O)N(N)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)propanehydrazide?
The InChIKey is UXNOJWGUMWLYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-10(14)12(11)8-6-7(13(15)16)4-5-9(8)17-2/h4-6H,3,11H2,1-2H3.
What are the key properties of N-(2-methoxy-5-nitrophenyl)propanehydrazide?
N-(2-methoxy-5-nitrophenyl)propanehydrazide has a molecular weight of 239.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)propanehydrazide is sourced from PubChem (CID 71146725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).