(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile

C16H16N4O — CID 170147754

IUPAC(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C16H16N4O/c17-9-15(20-19)16(18)13-6-4-12(5-7-13)14-3-1-2-11(8-14)10-21/h1-8,20-21H,10,18-19H2/b16-15-
InChIKeyPHYJGGZGHDZVSS-NXVVXOECSA-N
MW280.33 g/mol
LogP1.46
Rot. Bonds4

About (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile (PubChem CID 170147754) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
PubChem CID170147754
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C16H16N4O/c17-9-15(20-19)16(18)13-6-4-12(5-7-13)14-3-1-2-11(8-14)10-21/h1-8,20-21H,10,18-19H2/b16-15-
InChIKeyPHYJGGZGHDZVSS-NXVVXOECSA-N
XLogP1.46
TPSA108.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile (CID 170147754) is (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1ccc(-c2cccc(CO)c2)cc1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile?
The InChIKey is PHYJGGZGHDZVSS-NXVVXOECSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-15(20-19)16(18)13-6-4-12(5-7-13)14-3-1-2-11(8-14)10-21/h1-8,20-21H,10,18-19H2/b16-15-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile has a molecular weight of 280.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).