1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene

C9H8INO2 — CID 11822354

IUPAC1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
SMILESC/C(I)=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H8INO2/c1-7(10)5-8-3-2-4-9(6-8)11(12)13/h2-6H,1H3/b7-5-
InChIKeySCAPKJJWETWVGN-ALCCZGGFSA-N
MW289.07 g/mol
LogP3.39
Rot. Bonds2

About 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene

1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene (PubChem CID 11822354) has the molecular formula C9H8INO2 and a molecular weight of 289.07 g/mol. Its IUPAC name is 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
PubChem CID11822354
Molecular FormulaC9H8INO2
Molecular Weight289.07 g/mol
Exact Mass288.96
IUPAC Name1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
SMILESC/C(I)=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H8INO2/c1-7(10)5-8-3-2-4-9(6-8)11(12)13/h2-6H,1H3/b7-5-
InChIKeySCAPKJJWETWVGN-ALCCZGGFSA-N
XLogP3.39
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol
CID 103091267
1-(3-nitrophenyl)prop-1-en-2-yl acetate
CID 131853460
2-methyl-1-(3-nitrophenyl)pent-1-en-4-yn-3-ol
CID 173438756
(Z)-1-(diethylamino)-2-(3-nitrophenyl)ethenol
CID 139242791
4-(3-nitrophenyl)-3-pyrimidin-2-ylbut-3-en-2-one
CID 54092816
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
N-hydroxy-1-(3-nitrophenyl)methanimine oxide
CID 12527293
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene?
The IUPAC name of 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene (CID 11822354) is 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene.
What is the SMILES notation for 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene?
The canonical SMILES for 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene is C/C(I)=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene?
The InChIKey is SCAPKJJWETWVGN-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H8INO2/c1-7(10)5-8-3-2-4-9(6-8)11(12)13/h2-6H,1H3/b7-5-.
What are the key properties of 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene?
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene has a molecular weight of 289.07 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene is sourced from PubChem (CID 11822354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).