(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile

C20H18N4O2 — CID 170147862

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(COc2cccc3c(O)cccc23)c1
InChIInChI=1S/C20H18N4O2/c21-11-17(24-23)20(22)14-5-1-4-13(10-14)12-26-19-9-3-6-15-16(19)7-2-8-18(15)25/h1-10,24-25H,12,22-23H2/b20-17-
InChIKeySHUPECDIZPOFSN-JZJYNLBNSA-N
MW346.39 g/mol
LogP2.74
Rot. Bonds5

About (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile (PubChem CID 170147862) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile
PubChem CID170147862
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(COc2cccc3c(O)cccc23)c1
InChIInChI=1S/C20H18N4O2/c21-11-17(24-23)20(22)14-5-1-4-13(10-14)12-26-19-9-3-6-15-16(19)7-2-8-18(15)25/h1-10,24-25H,12,22-23H2/b20-17-
InChIKeySHUPECDIZPOFSN-JZJYNLBNSA-N
XLogP2.74
TPSA117.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170147884
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
(Z)-3-amino-2-hydrazinyl-3-[3-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147683
(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(Z)-3-amino-2-hydrazinyl-3-[4-[3-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147754
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040
(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170148061
(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
CID 170147689
(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 170148018

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile (CID 170147862) is (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1cccc(COc2cccc3c(O)cccc23)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile?
The InChIKey is SHUPECDIZPOFSN-JZJYNLBNSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-11-17(24-23)20(22)14-5-1-4-13(10-14)12-26-19-9-3-6-15-16(19)7-2-8-18(15)25/h1-10,24-25H,12,22-23H2/b20-17-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile has a molecular weight of 346.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).