(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile

C19H17N3O2 — CID 977304

IUPAC(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N3O2/c20-14-17(16-5-9-19(10-6-16)22(23)24)13-15-3-7-18(8-4-15)21-11-1-2-12-21/h3-10,13H,1-2,11-12H2/b17-13+
InChIKeySGGVMNNMYFNSSA-GHRIWEEISA-N
MW319.36 g/mol
LogP4.26
Rot. Bonds4

About (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile

(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile (PubChem CID 977304) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
PubChem CID977304
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N3O2/c20-14-17(16-5-9-19(10-6-16)22(23)24)13-15-3-7-18(8-4-15)21-11-1-2-12-21/h3-10,13H,1-2,11-12H2/b17-13+
InChIKeySGGVMNNMYFNSSA-GHRIWEEISA-N
XLogP4.26
TPSA70.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)-2-(3-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 2219190
(E)-2-phenyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 21234790
(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695771
(E)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214634
2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2959641
(Z)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214633
(Z)-3-(4-ethylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 1292563
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
2-(3-bromophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2915679
2-(4-nitrophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2952259
(Z)-2-(4-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 9027761
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
CID 892246

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile (CID 977304) is (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
The InChIKey is SGGVMNNMYFNSSA-GHRIWEEISA-N. The full InChI is InChI=1S/C19H17N3O2/c20-14-17(16-5-9-19(10-6-16)22(23)24)13-15-3-7-18(8-4-15)21-11-1-2-12-21/h3-10,13H,1-2,11-12H2/b17-13+.
What are the key properties of (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
(Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile has a molecular weight of 319.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 977304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).