(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile

C20H21N5O2 — CID 170148018

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(OCc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H21N5O2/c21-12-18(24-23)20(22)15-3-1-4-17(11-15)27-13-14-6-8-16(9-7-14)25-10-2-5-19(25)26/h1,3-4,6-9,11,24H,2,5,10,13,22-23H2/b20-18-
InChIKeyAMPURUJEGGMGTF-ZZEZOPTASA-N
MW363.42 g/mol
LogP2.01
Rot. Bonds6

About (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile (PubChem CID 170148018) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
PubChem CID170148018
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(OCc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H21N5O2/c21-12-18(24-23)20(22)15-3-1-4-17(11-15)27-13-14-6-8-16(9-7-14)25-10-2-5-19(25)26/h1,3-4,6-9,11,24H,2,5,10,13,22-23H2/b20-18-
InChIKeyAMPURUJEGGMGTF-ZZEZOPTASA-N
XLogP2.01
TPSA117.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.01
H-Bond Donors ≤ 53
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-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
4-[3-[[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]phenoxy]butanenitrile
CID 119108851
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170148061
2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
CID 26686013
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 141084193
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
(E)-N-[3-(3-cyanopropoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 94619029
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile (CID 170148018) is (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1cccc(OCc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile?
The InChIKey is AMPURUJEGGMGTF-ZZEZOPTASA-N. The full InChI is InChI=1S/C20H21N5O2/c21-12-18(24-23)20(22)15-3-1-4-17(11-15)27-13-14-6-8-16(9-7-14)25-10-2-5-19(25)26/h1,3-4,6-9,11,24H,2,5,10,13,22-23H2/b20-18-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile has a molecular weight of 363.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 170148018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).