1-(2-methylpent-1-enyl)-2-nitrobenzene

C12H15NO2 — CID 158113954

IUPAC1-(2-methylpent-1-enyl)-2-nitrobenzene
SMILESCCCC(C)=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H15NO2/c1-3-6-10(2)9-11-7-4-5-8-12(11)13(14)15/h4-5,7-9H,3,6H2,1-2H3
InChIKeyFQTSDPNREHPOII-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-methylpent-1-enyl)-2-nitrobenzene

1-(2-methylpent-1-enyl)-2-nitrobenzene (PubChem CID 158113954) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-methylpent-1-enyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(2-methylpent-1-enyl)-2-nitrobenzene
PubChem CID158113954
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(2-methylpent-1-enyl)-2-nitrobenzene
SMILESCCCC(C)=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H15NO2/c1-3-6-10(2)9-11-7-4-5-8-12(11)13(14)15/h4-5,7-9H,3,6H2,1-2H3
InChIKeyFQTSDPNREHPOII-UHFFFAOYSA-N
XLogP3.80
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.80
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-[(2-nitrophenyl)methylidene]pentanal
CID 146503293
1-nitro-2-(2-nitrobut-1-enyl)benzene
CID 72796209
2-[(2-nitrophenyl)methylidene]-3-oxopentanoic acid
CID 57160343
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
CID 5077888
ethanol;2-nitrobenzaldehyde
CID 175129011
(E)-2-methyl-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 12710024
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
[(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate
CID 6443322
ethyl (Z)-2-fluoro-3-(2-nitrophenyl)prop-2-enoate
CID 121222967
(2E)-2-[(2-nitrophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 6477117
octyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
CID 19844785
nonyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
CID 19844787

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpent-1-enyl)-2-nitrobenzene?
The IUPAC name of 1-(2-methylpent-1-enyl)-2-nitrobenzene (CID 158113954) is 1-(2-methylpent-1-enyl)-2-nitrobenzene.
What is the SMILES notation for 1-(2-methylpent-1-enyl)-2-nitrobenzene?
The canonical SMILES for 1-(2-methylpent-1-enyl)-2-nitrobenzene is CCCC(C)=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methylpent-1-enyl)-2-nitrobenzene?
The InChIKey is FQTSDPNREHPOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-6-10(2)9-11-7-4-5-8-12(11)13(14)15/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 1-(2-methylpent-1-enyl)-2-nitrobenzene?
1-(2-methylpent-1-enyl)-2-nitrobenzene has a molecular weight of 205.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpent-1-enyl)-2-nitrobenzene is sourced from PubChem (CID 158113954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).