methane;N-(4-oxocyclohexyl)formamide

C8H15NO2 — CID 143383333

IUPACmethane;N-(4-oxocyclohexyl)formamide
SMILESC.O=CNC1CCC(=O)CC1
InChIInChI=1S/C7H11NO2.CH4/c9-5-8-6-1-3-7(10)4-2-6;/h5-6H,1-4H2,(H,8,9);1H4
InChIKeyIZZSYVFYEIETMS-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.88
Rot. Bonds2

About methane;N-(4-oxocyclohexyl)formamide

methane;N-(4-oxocyclohexyl)formamide (PubChem CID 143383333) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methane;N-(4-oxocyclohexyl)formamide.

Molecular Properties

Compound Namemethane;N-(4-oxocyclohexyl)formamide
PubChem CID143383333
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethane;N-(4-oxocyclohexyl)formamide
SMILESC.O=CNC1CCC(=O)CC1
InChIInChI=1S/C7H11NO2.CH4/c9-5-8-6-1-3-7(10)4-2-6;/h5-6H,1-4H2,(H,8,9);1H4
InChIKeyIZZSYVFYEIETMS-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;N-(4-oxocyclohexyl)formamide?
The IUPAC name of methane;N-(4-oxocyclohexyl)formamide (CID 143383333) is methane;N-(4-oxocyclohexyl)formamide.
What is the SMILES notation for methane;N-(4-oxocyclohexyl)formamide?
The canonical SMILES for methane;N-(4-oxocyclohexyl)formamide is C.O=CNC1CCC(=O)CC1.
What is the InChIKey of methane;N-(4-oxocyclohexyl)formamide?
The InChIKey is IZZSYVFYEIETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.CH4/c9-5-8-6-1-3-7(10)4-2-6;/h5-6H,1-4H2,(H,8,9);1H4.
What are the key properties of methane;N-(4-oxocyclohexyl)formamide?
methane;N-(4-oxocyclohexyl)formamide has a molecular weight of 157.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(4-oxocyclohexyl)formamide is sourced from PubChem (CID 143383333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).