(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide

C11H11N3O4 — CID 30769477

IUPAC(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
SMILESCC(=O)NNC(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-8(15)12-13-11(16)7-6-9-4-2-3-5-10(9)14(17)18/h2-7H,1H3,(H,12,15)(H,13,16)/b7-6+
InChIKeyZVWXFYOQNIRLII-VOTSOKGWSA-N
MW249.23 g/mol
LogP0.78
Rot. Bonds3

About (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide

(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide (PubChem CID 30769477) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
PubChem CID30769477
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
SMILESCC(=O)NNC(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-8(15)12-13-11(16)7-6-9-4-2-3-5-10(9)14(17)18/h2-7H,1H3,(H,12,15)(H,13,16)/b7-6+
InChIKeyZVWXFYOQNIRLII-VOTSOKGWSA-N
XLogP0.78
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-tert-butyl-3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 9425502
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
(E)-N-(2-methylprop-2-enyl)-3-(2-nitrophenyl)prop-2-enamide
CID 114618670
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
1-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-3-pentylthiourea
CID 9220431
(E)-N-(4-hydroxycyclohexyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43389284

Frequently Asked Questions

What is the IUPAC name of (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide (CID 30769477) is (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide is CC(=O)NNC(=O)/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide?
The InChIKey is ZVWXFYOQNIRLII-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-8(15)12-13-11(16)7-6-9-4-2-3-5-10(9)14(17)18/h2-7H,1H3,(H,12,15)(H,13,16)/b7-6+.
What are the key properties of (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide?
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide has a molecular weight of 249.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 30769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).