2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene

C14H19NO2 — CID 76948829

IUPAC2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene
SMILESCc1ccc(C=C(CC(C)C)[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H19NO2/c1-10(2)7-14(15(16)17)9-13-6-5-11(3)8-12(13)4/h5-6,8-10H,7H2,1-4H3
InChIKeySBZJRLSNCRKEMK-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.97
Rot. Bonds4

About 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene

2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene (PubChem CID 76948829) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene
PubChem CID76948829
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene
SMILESCc1ccc(C=C(CC(C)C)[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H19NO2/c1-10(2)7-14(15(16)17)9-13-6-5-11(3)8-12(13)4/h5-6,8-10H,7H2,1-4H3
InChIKeySBZJRLSNCRKEMK-UHFFFAOYSA-N
XLogP3.97
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.97
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

1,3-dimethyl-5-[(E)-4-methyl-2-nitropent-1-enyl]benzene
CID 55111850
2,5-dimethyl-3-(4-methyl-2-nitropent-1-enyl)thiophene
CID 76949322
2-chloro-8-methyl-3-(4-methyl-2-nitropent-1-enyl)quinoline
CID 76996056
1-(4-methyl-2-nitropent-1-enyl)-2-propan-2-yloxybenzene
CID 76949363
4-methyl-2-(2-nitrobut-1-enyl)phenol
CID 175481161
4-[(Z)-4-methyl-2-nitropent-1-enyl]isoquinoline
CID 104504776
1,4-dimethyl-2-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948475
1-butoxy-4-(4-methyl-2-nitropent-1-enyl)benzene
CID 76996277
1,3-dibromo-2-ethoxy-5-(4-methyl-2-nitropent-1-enyl)benzene
CID 76996040
6-[(E)-4-methyl-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxine
CID 55112423
2-ethyl-5-(4-methyl-2-nitropent-1-enyl)furan
CID 76948866
1,3,5-trimethoxy-2-(4-methyl-2-nitropent-1-enyl)benzene
CID 76949337

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene?
The IUPAC name of 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene (CID 76948829) is 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene.
What is the SMILES notation for 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene?
The canonical SMILES for 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene is Cc1ccc(C=C(CC(C)C)[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene?
The InChIKey is SBZJRLSNCRKEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)7-14(15(16)17)9-13-6-5-11(3)8-12(13)4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene?
2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene has a molecular weight of 233.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-methyl-2-nitropent-1-enyl)benzene is sourced from PubChem (CID 76948829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).