(3-nitro-5-pent-4-enoxyphenyl)hydrazine

C11H15N3O3 — CID 80922666

IUPAC(3-nitro-5-pent-4-enoxyphenyl)hydrazine
SMILESC=CCCCOc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-2-3-4-5-17-11-7-9(13-12)6-10(8-11)14(15)16/h2,6-8,13H,1,3-5,12H2
InChIKeyINLRPDUQJBEPNV-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.23
Rot. Bonds7

About (3-nitro-5-pent-4-enoxyphenyl)hydrazine

(3-nitro-5-pent-4-enoxyphenyl)hydrazine (PubChem CID 80922666) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3-nitro-5-pent-4-enoxyphenyl)hydrazine.

Molecular Properties

Compound Name(3-nitro-5-pent-4-enoxyphenyl)hydrazine
PubChem CID80922666
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3-nitro-5-pent-4-enoxyphenyl)hydrazine
SMILESC=CCCCOc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-2-3-4-5-17-11-7-9(13-12)6-10(8-11)14(15)16/h2,6-8,13H,1,3-5,12H2
InChIKeyINLRPDUQJBEPNV-UHFFFAOYSA-N
XLogP2.23
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 80912775
3-but-3-enoxy-5-nitro-N-propylaniline
CID 80860870
1-nitro-3-pent-4-enoxybenzene
CID 11183362
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine
CID 80914835
3-(3-ethoxy-5-nitrophenoxy)propan-1-amine
CID 80744007
N-(3-ethoxy-5-nitrophenyl)hydroxylamine
CID 130500571
(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
CID 102989748
N'-(3-ethoxy-5-nitrophenyl)propane-1,3-diamine
CID 80737512

Frequently Asked Questions

What is the IUPAC name of (3-nitro-5-pent-4-enoxyphenyl)hydrazine?
The IUPAC name of (3-nitro-5-pent-4-enoxyphenyl)hydrazine (CID 80922666) is (3-nitro-5-pent-4-enoxyphenyl)hydrazine.
What is the SMILES notation for (3-nitro-5-pent-4-enoxyphenyl)hydrazine?
The canonical SMILES for (3-nitro-5-pent-4-enoxyphenyl)hydrazine is C=CCCCOc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitro-5-pent-4-enoxyphenyl)hydrazine?
The InChIKey is INLRPDUQJBEPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-4-5-17-11-7-9(13-12)6-10(8-11)14(15)16/h2,6-8,13H,1,3-5,12H2.
What are the key properties of (3-nitro-5-pent-4-enoxyphenyl)hydrazine?
(3-nitro-5-pent-4-enoxyphenyl)hydrazine has a molecular weight of 237.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-5-pent-4-enoxyphenyl)hydrazine is sourced from PubChem (CID 80922666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).