N-(2-cyclobutylethyl)formamide

C7H13NO — CID 87467337

IUPACN-(2-cyclobutylethyl)formamide
SMILESO=CNCCC1CCC1
InChIInChI=1S/C7H13NO/c9-6-8-5-4-7-2-1-3-7/h6-7H,1-5H2,(H,8,9)
InChIKeyLZBLFBIQOIWJPJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds4

About N-(2-cyclobutylethyl)formamide

N-(2-cyclobutylethyl)formamide (PubChem CID 87467337) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)formamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)formamide
PubChem CID87467337
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(2-cyclobutylethyl)formamide
SMILESO=CNCCC1CCC1
InChIInChI=1S/C7H13NO/c9-6-8-5-4-7-2-1-3-7/h6-7H,1-5H2,(H,8,9)
InChIKeyLZBLFBIQOIWJPJ-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)formamide?
The IUPAC name of N-(2-cyclobutylethyl)formamide (CID 87467337) is N-(2-cyclobutylethyl)formamide.
What is the SMILES notation for N-(2-cyclobutylethyl)formamide?
The canonical SMILES for N-(2-cyclobutylethyl)formamide is O=CNCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)formamide?
The InChIKey is LZBLFBIQOIWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-8-5-4-7-2-1-3-7/h6-7H,1-5H2,(H,8,9).
What are the key properties of N-(2-cyclobutylethyl)formamide?
N-(2-cyclobutylethyl)formamide has a molecular weight of 127.19 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)formamide is sourced from PubChem (CID 87467337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).