1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene

C15H13NO2 — CID 56955352

IUPAC1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
SMILESO=[N+]([O-])c1cccc(/C=C\Cc2ccccc2)c1
InChIInChI=1S/C15H13NO2/c17-16(18)15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-7,9-12H,8H2/b9-4-
InChIKeyHLCCFVQRLQAYCR-WTKPLQERSA-N
MW239.27 g/mol
LogP3.85
Rot. Bonds4

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

1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene (PubChem CID 56955352) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
PubChem CID56955352
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
SMILESO=[N+]([O-])c1cccc(/C=C\Cc2ccccc2)c1
InChIInChI=1S/C15H13NO2/c17-16(18)15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-7,9-12H,8H2/b9-4-
InChIKeyHLCCFVQRLQAYCR-WTKPLQERSA-N
XLogP3.85
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.85
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

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(E)-3-(3-nitrophenyl)prop-2-en-1-amine
CID 19966844
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
N-benzyl-1-(3-nitrophenyl)methanimine oxide
CID 177424048
1-hex-1-enyl-3-nitrobenzene
CID 54569294
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
3-nitro-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 11624890
(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
CID 92896876
N-[3-(3-nitrophenyl)prop-2-enyl]cyclopropanamine
CID 79347711
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
CID 6885582
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene?
The IUPAC name of 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene (CID 56955352) is 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene?
The canonical SMILES for 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene is O=[N+]([O-])c1cccc(/C=C\Cc2ccccc2)c1.
What is the InChIKey of 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene?
The InChIKey is HLCCFVQRLQAYCR-WTKPLQERSA-N. The full InChI is InChI=1S/C15H13NO2/c17-16(18)15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-7,9-12H,8H2/b9-4-.
What are the key properties of 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene?
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene has a molecular weight of 239.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene is sourced from PubChem (CID 56955352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).