[(Z)-3-nitro-1-phenylbut-2-enyl]benzene

C16H15NO2 — CID 107293064

IUPAC[(Z)-3-nitro-1-phenylbut-2-enyl]benzene
SMILESC/C(=C/C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C16H15NO2/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,16H,1H3/b13-12-
InChIKeyIIRCTICQZQKQEP-SEYXRHQNSA-N
MW253.30 g/mol
LogP4.00
Rot. Bonds4

About [(Z)-3-nitro-1-phenylbut-2-enyl]benzene

[(Z)-3-nitro-1-phenylbut-2-enyl]benzene (PubChem CID 107293064) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is [(Z)-3-nitro-1-phenylbut-2-enyl]benzene.

Molecular Properties

Compound Name[(Z)-3-nitro-1-phenylbut-2-enyl]benzene
PubChem CID107293064
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name[(Z)-3-nitro-1-phenylbut-2-enyl]benzene
SMILESC/C(=C/C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C16H15NO2/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,16H,1H3/b13-12-
InChIKeyIIRCTICQZQKQEP-SEYXRHQNSA-N
XLogP4.00
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nitroprop-1-enylbenzene
CID 12807
2-nitroprop-1-enylsulfanylbenzene
CID 73110356
nitric acid;1-phenylethanol
CID 67855225
(1S,2S)-1-nitro-2-phenylethane-1,2-diol
CID 101193142
2-(2-nitroprop-1-enyl)benzoic acid
CID 54098405
benzene;nitro(phenyl)methanol
CID 174698323
N-[nitro(phenyl)methyl]hydroxylamine
CID 87946291
4-[(Z)-2-nitroprop-1-enyl]phenol
CID 5371883
(2-methyl-4,4-diphenylbut-2-enyl) dihydrogen phosphite
CID 175018654
[(2S)-1-[(Z)-1-nitroprop-1-en-2-yl]sulfanylpropan-2-yl]benzene
CID 10243240
(Z)-4-nitro-4-phenylbut-3-en-2-one
CID 6439839
(1,2,2-tribromo-2-nitroethyl)benzene
CID 15311500

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-nitro-1-phenylbut-2-enyl]benzene?
The IUPAC name of [(Z)-3-nitro-1-phenylbut-2-enyl]benzene (CID 107293064) is [(Z)-3-nitro-1-phenylbut-2-enyl]benzene.
What is the SMILES notation for [(Z)-3-nitro-1-phenylbut-2-enyl]benzene?
The canonical SMILES for [(Z)-3-nitro-1-phenylbut-2-enyl]benzene is C/C(=C/C(c1ccccc1)c1ccccc1)[N+](=O)[O-].
What is the InChIKey of [(Z)-3-nitro-1-phenylbut-2-enyl]benzene?
The InChIKey is IIRCTICQZQKQEP-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,16H,1H3/b13-12-.
What are the key properties of [(Z)-3-nitro-1-phenylbut-2-enyl]benzene?
[(Z)-3-nitro-1-phenylbut-2-enyl]benzene has a molecular weight of 253.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-nitro-1-phenylbut-2-enyl]benzene is sourced from PubChem (CID 107293064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).