(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine

C9H12N4O2 — CID 165401758

IUPAC(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine
SMILESC/C(NN)=C(/N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H12N4O2/c1-6(12-11)9(10)7-3-2-4-8(5-7)13(14)15/h2-5,12H,10-11H2,1H3/b9-6-
InChIKeyVZAVASOLVPUXKP-TWGQIWQCSA-N
MW208.22 g/mol
LogP0.71
Rot. Bonds3

About (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine

(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine (PubChem CID 165401758) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine
PubChem CID165401758
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine
SMILESC/C(NN)=C(/N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H12N4O2/c1-6(12-11)9(10)7-3-2-4-8(5-7)13(14)15/h2-5,12H,10-11H2,1H3/b9-6-
InChIKeyVZAVASOLVPUXKP-TWGQIWQCSA-N
XLogP0.71
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-(3-nitrophenyl)ethenol
CID 12600881
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
methyl 3-(3-nitrophenyl)but-2-enoate
CID 123494832
N'-bromo-3-nitrobenzenecarboximidamide
CID 134988255
ethane;methyl 3-nitrobenzoate
CID 166455377
N'-amino-3-nitrobenzenecarboximidamide;hydrochloride
CID 87664105
(E)-3-amino-2-(methyliminomethyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 172579044
(E)-4-hydroxy-3-(3-nitrophenyl)pent-3-en-2-one
CID 15191174
benzamide;3-nitrobenzoic acid
CID 139144379
bis[(Z)-3-(3-nitrophenyl)but-2-enyl] carbonate
CID 135376037
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine (CID 165401758) is (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine is C/C(NN)=C(/N)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine?
The InChIKey is VZAVASOLVPUXKP-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6(12-11)9(10)7-3-2-4-8(5-7)13(14)15/h2-5,12H,10-11H2,1H3/b9-6-.
What are the key properties of (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine?
(Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine has a molecular weight of 208.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydrazinyl-1-(3-nitrophenyl)prop-1-en-1-amine is sourced from PubChem (CID 165401758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).