1,2-diethylbenzene;formamide

C11H17NO — CID 157370947

IUPAC1,2-diethylbenzene;formamide
SMILESCCc1ccccc1CC.NC=O
InChIInChI=1S/C10H14.CH3NO/c1-3-9-7-5-6-8-10(9)4-2;2-1-3/h5-8H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyBJTHTQFKOCKPCJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.91
Rot. Bonds2

About 1,2-diethylbenzene;formamide

1,2-diethylbenzene;formamide (PubChem CID 157370947) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2-diethylbenzene;formamide.

Molecular Properties

Compound Name1,2-diethylbenzene;formamide
PubChem CID157370947
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2-diethylbenzene;formamide
SMILESCCc1ccccc1CC.NC=O
InChIInChI=1S/C10H14.CH3NO/c1-3-9-7-5-6-8-10(9)4-2;2-1-3/h5-8H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyBJTHTQFKOCKPCJ-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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1,2-diethylbenzene;propa-1,2-diene
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1,2-diethylbenzene;silyloxysilane
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ethane;2-ethylaniline
CID 90841248
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2-ethylaniline;propane
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Frequently Asked Questions

What is the IUPAC name of 1,2-diethylbenzene;formamide?
The IUPAC name of 1,2-diethylbenzene;formamide (CID 157370947) is 1,2-diethylbenzene;formamide.
What is the SMILES notation for 1,2-diethylbenzene;formamide?
The canonical SMILES for 1,2-diethylbenzene;formamide is CCc1ccccc1CC.NC=O.
What is the InChIKey of 1,2-diethylbenzene;formamide?
The InChIKey is BJTHTQFKOCKPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.CH3NO/c1-3-9-7-5-6-8-10(9)4-2;2-1-3/h5-8H,3-4H2,1-2H3;1H,(H2,2,3).
What are the key properties of 1,2-diethylbenzene;formamide?
1,2-diethylbenzene;formamide has a molecular weight of 179.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylbenzene;formamide is sourced from PubChem (CID 157370947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).