N-cyclobutyl-N-ethylformamide

C7H13NO — CID 87182357

IUPACN-cyclobutyl-N-ethylformamide
SMILESCCN(C=O)C1CCC1
InChIInChI=1S/C7H13NO/c1-2-8(6-9)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyXDYKMLICCQVRMS-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds3

About N-cyclobutyl-N-ethylformamide

N-cyclobutyl-N-ethylformamide (PubChem CID 87182357) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-cyclobutyl-N-ethylformamide.

Molecular Properties

Compound NameN-cyclobutyl-N-ethylformamide
PubChem CID87182357
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-cyclobutyl-N-ethylformamide
SMILESCCN(C=O)C1CCC1
InChIInChI=1S/C7H13NO/c1-2-8(6-9)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyXDYKMLICCQVRMS-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
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-cyclobutyl-N-ethylformamide?
The IUPAC name of N-cyclobutyl-N-ethylformamide (CID 87182357) is N-cyclobutyl-N-ethylformamide.
What is the SMILES notation for N-cyclobutyl-N-ethylformamide?
The canonical SMILES for N-cyclobutyl-N-ethylformamide is CCN(C=O)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-ethylformamide?
The InChIKey is XDYKMLICCQVRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8(6-9)7-4-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of N-cyclobutyl-N-ethylformamide?
N-cyclobutyl-N-ethylformamide has a molecular weight of 127.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-ethylformamide is sourced from PubChem (CID 87182357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).