3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide

C17H16N2O — CID 70432340

IUPAC3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
SMILESNNC(=O)C=Cc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c18-19-17(20)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H,18H2,(H,19,20)
InChIKeyRXANDPOXRVJGHR-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.86
Rot. Bonds4

About 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide

3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide (PubChem CID 70432340) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
PubChem CID70432340
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
SMILESNNC(=O)C=Cc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c18-19-17(20)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H,18H2,(H,19,20)
InChIKeyRXANDPOXRVJGHR-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
(E)-N-chloro-3-phenylprop-2-enamide
CID 18537372
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
3-phenyl-N-thionitrosoprop-2-enamide
CID 91610394

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide?
The IUPAC name of 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide (CID 70432340) is 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide.
What is the SMILES notation for 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide?
The canonical SMILES for 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide is NNC(=O)C=Cc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide?
The InChIKey is RXANDPOXRVJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-19-17(20)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H,18H2,(H,19,20).
What are the key properties of 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide?
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide has a molecular weight of 264.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide is sourced from PubChem (CID 70432340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).