N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

C14H11N3O4S — CID 9479330

IUPACN'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1
InChIInChI=1S/C14H11N3O4S/c18-13(15-16-14(19)12-6-3-9-22-12)8-7-10-4-1-2-5-11(10)17(20)21/h1-9H,(H,15,18)(H,16,19)/b8-7+
InChIKeyOKAABBBUMJWYKM-BQYQJAHWSA-N
MW317.33 g/mol
LogP2.13
Rot. Bonds4

About N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 9479330) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID9479330
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1
InChIInChI=1S/C14H11N3O4S/c18-13(15-16-14(19)12-6-3-9-22-12)8-7-10-4-1-2-5-11(10)17(20)21/h1-9H,(H,15,18)(H,16,19)/b8-7+
InChIKeyOKAABBBUMJWYKM-BQYQJAHWSA-N
XLogP2.13
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
(E)-3-(2-nitrophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9022688
1-tert-butyl-3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 9425502
N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4089645
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 71985101
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'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide (CID 9479330) is N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1.
What is the InChIKey of N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is OKAABBBUMJWYKM-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-13(15-16-14(19)12-6-3-9-22-12)8-7-10-4-1-2-5-11(10)17(20)21/h1-9H,(H,15,18)(H,16,19)/b8-7+.
What are the key properties of N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 317.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9479330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).