cyclobutane;N-methylformamide

C6H13NO — CID 144809083

IUPACcyclobutane;N-methylformamide
SMILESC1CCC1.CNC=O
InChIInChI=1S/C4H8.C2H5NO/c1-2-4-3-1;1-3-2-4/h1-4H2;2H,1H3,(H,3,4)
InChIKeyBZFWQDFYUOAONM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.92
Rot. Bonds1

About cyclobutane;N-methylformamide

cyclobutane;N-methylformamide (PubChem CID 144809083) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cyclobutane;N-methylformamide.

Molecular Properties

Compound Namecyclobutane;N-methylformamide
PubChem CID144809083
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecyclobutane;N-methylformamide
SMILESC1CCC1.CNC=O
InChIInChI=1S/C4H8.C2H5NO/c1-2-4-3-1;1-3-2-4/h1-4H2;2H,1H3,(H,3,4)
InChIKeyBZFWQDFYUOAONM-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.92
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

cyclopropane;N-methylformamide
CID 145062498
N-methylformamide;titanium
CID 175536868
carbonic acid;N-methylformamide
CID 159780835
ethane;N-methylformamide;sulfuric acid
CID 175117492
methane;bis(N-methylformamide);propanal
CID 158729110
cyclopropane;formohydrazide
CID 146222380
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174
2-(cyclohexylmethoxy)ethanamine;N-methylformamide
CID 166554436
ethane;N-methylformamide;octane
CID 164590964
dimethyl sulfate;N-methylformamide
CID 158782735
N-methylformamide;morpholin-4-ylphosphane
CID 176675914
cyclobutanecarbaldehyde;ethane;N-methylmethanamine
CID 142148678

Frequently Asked Questions

What is the IUPAC name of cyclobutane;N-methylformamide?
The IUPAC name of cyclobutane;N-methylformamide (CID 144809083) is cyclobutane;N-methylformamide.
What is the SMILES notation for cyclobutane;N-methylformamide?
The canonical SMILES for cyclobutane;N-methylformamide is C1CCC1.CNC=O.
What is the InChIKey of cyclobutane;N-methylformamide?
The InChIKey is BZFWQDFYUOAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H5NO/c1-2-4-3-1;1-3-2-4/h1-4H2;2H,1H3,(H,3,4).
What are the key properties of cyclobutane;N-methylformamide?
cyclobutane;N-methylformamide has a molecular weight of 115.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;N-methylformamide is sourced from PubChem (CID 144809083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).