N-(1-methylcyclobutyl)formamide

C6H11NO — CID 54210121

IUPACN-(1-methylcyclobutyl)formamide
SMILESCC1(NC=O)CCC1
InChIInChI=1S/C6H11NO/c1-6(7-5-8)3-2-4-6/h5H,2-4H2,1H3,(H,7,8)
InChIKeyXAAOFAZBCNSDJK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds2

About N-(1-methylcyclobutyl)formamide

N-(1-methylcyclobutyl)formamide (PubChem CID 54210121) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)formamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)formamide
PubChem CID54210121
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-(1-methylcyclobutyl)formamide
SMILESCC1(NC=O)CCC1
InChIInChI=1S/C6H11NO/c1-6(7-5-8)3-2-4-6/h5H,2-4H2,1H3,(H,7,8)
InChIKeyXAAOFAZBCNSDJK-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)formamide?
The IUPAC name of N-(1-methylcyclobutyl)formamide (CID 54210121) is N-(1-methylcyclobutyl)formamide.
What is the SMILES notation for N-(1-methylcyclobutyl)formamide?
The canonical SMILES for N-(1-methylcyclobutyl)formamide is CC1(NC=O)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)formamide?
The InChIKey is XAAOFAZBCNSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(7-5-8)3-2-4-6/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(1-methylcyclobutyl)formamide?
N-(1-methylcyclobutyl)formamide has a molecular weight of 113.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)formamide is sourced from PubChem (CID 54210121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).