2,4-dimethyl-3-(nitromethylidene)pentane

C8H15NO2 — CID 59382813

IUPAC2,4-dimethyl-3-(nitromethylidene)pentane
SMILESCC(C)C(=C[N+](=O)[O-])C(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)8(7(3)4)5-9(10)11/h5-7H,1-4H3
InChIKeyZXOYACCDICHRSH-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.46
Rot. Bonds3

About 2,4-dimethyl-3-(nitromethylidene)pentane

2,4-dimethyl-3-(nitromethylidene)pentane (PubChem CID 59382813) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,4-dimethyl-3-(nitromethylidene)pentane.

Molecular Properties

Compound Name2,4-dimethyl-3-(nitromethylidene)pentane
PubChem CID59382813
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,4-dimethyl-3-(nitromethylidene)pentane
SMILESCC(C)C(=C[N+](=O)[O-])C(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)8(7(3)4)5-9(10)11/h5-7H,1-4H3
InChIKeyZXOYACCDICHRSH-UHFFFAOYSA-N
XLogP2.46
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.46
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

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(Z)-2,5-dimethyl-3-nitrohex-3-ene
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(3E)-1-N,1-N,1-N',1-N',3-pentamethyl-4-nitrobuta-1,3-diene-1,1-diamine
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CID 136799546
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(E)-2-iodo-3,3-dimethyl-1-nitrobut-1-ene
CID 134875400
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CID 172735884

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(nitromethylidene)pentane?
The IUPAC name of 2,4-dimethyl-3-(nitromethylidene)pentane (CID 59382813) is 2,4-dimethyl-3-(nitromethylidene)pentane.
What is the SMILES notation for 2,4-dimethyl-3-(nitromethylidene)pentane?
The canonical SMILES for 2,4-dimethyl-3-(nitromethylidene)pentane is CC(C)C(=C[N+](=O)[O-])C(C)C.
What is the InChIKey of 2,4-dimethyl-3-(nitromethylidene)pentane?
The InChIKey is ZXOYACCDICHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(7(3)4)5-9(10)11/h5-7H,1-4H3.
What are the key properties of 2,4-dimethyl-3-(nitromethylidene)pentane?
2,4-dimethyl-3-(nitromethylidene)pentane has a molecular weight of 157.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(nitromethylidene)pentane is sourced from PubChem (CID 59382813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).