(E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile

C23H15N3O2 — CID 124551275

IUPAC(E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H15N3O2/c24-16-20(19-11-10-17-5-1-2-6-18(17)13-19)14-21-9-4-12-25(21)22-7-3-8-23(15-22)26(27)28/h1-15H/b20-14-
InChIKeyYLLXIPMGIZPMNC-ZHZULCJRSA-N
MW365.39 g/mol
LogP5.60
Rot. Bonds4

About (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile

(E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile (PubChem CID 124551275) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
PubChem CID124551275
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name(E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H15N3O2/c24-16-20(19-11-10-17-5-1-2-6-18(17)13-19)14-21-9-4-12-25(21)22-7-3-8-23(15-22)26(27)28/h1-15H/b20-14-
InChIKeyYLLXIPMGIZPMNC-ZHZULCJRSA-N
XLogP5.60
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-methylphenyl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
CID 21375350
3-[2-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]pyrrol-1-yl]benzoic acid
CID 124549381
3-[1-(2-fluorophenyl)pyrrol-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3941777
2-benzoyl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
CID 3527060
3-[1-(4-methoxyphenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3604436
(Z)-2-cyano-3-[1-(3-nitrophenyl)pyrrol-2-yl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126237677
2-(2-chlorophenyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
CID 3921304
(Z)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile
CID 6110751
(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enamide
CID 21382742
(E)-3-[1-(4-nitrophenyl)pyrrol-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 6196413
(E)-2-(3-nitrophenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 2219190
3-[2-[2-cyano-2-(4-fluorophenyl)ethenyl]pyrrol-1-yl]benzoic acid
CID 2941874

Frequently Asked Questions

What is the IUPAC name of (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile?
The IUPAC name of (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile (CID 124551275) is (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile?
The canonical SMILES for (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile is N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile?
The InChIKey is YLLXIPMGIZPMNC-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H15N3O2/c24-16-20(19-11-10-17-5-1-2-6-18(17)13-19)14-21-9-4-12-25(21)22-7-3-8-23(15-22)26(27)28/h1-15H/b20-14-.
What are the key properties of (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile?
(E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile has a molecular weight of 365.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-naphthalen-2-yl-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 124551275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).