N-(1-phenylcyclobutyl)formamide

C11H13NO — CID 110477150

IUPACN-(1-phenylcyclobutyl)formamide
SMILESO=CNC1(c2ccccc2)CCC1
InChIInChI=1S/C11H13NO/c13-9-12-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,12,13)
InChIKeyMFGFWJUZVRBJHQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.81
Rot. Bonds3

About N-(1-phenylcyclobutyl)formamide

N-(1-phenylcyclobutyl)formamide (PubChem CID 110477150) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)formamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)formamide
PubChem CID110477150
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-(1-phenylcyclobutyl)formamide
SMILESO=CNC1(c2ccccc2)CCC1
InChIInChI=1S/C11H13NO/c13-9-12-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,12,13)
InChIKeyMFGFWJUZVRBJHQ-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.81
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-phenylcyclobutyl)formamide?
The IUPAC name of N-(1-phenylcyclobutyl)formamide (CID 110477150) is N-(1-phenylcyclobutyl)formamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)formamide?
The canonical SMILES for N-(1-phenylcyclobutyl)formamide is O=CNC1(c2ccccc2)CCC1.
What is the InChIKey of N-(1-phenylcyclobutyl)formamide?
The InChIKey is MFGFWJUZVRBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-9-12-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,12,13).
What are the key properties of N-(1-phenylcyclobutyl)formamide?
N-(1-phenylcyclobutyl)formamide has a molecular weight of 175.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)formamide is sourced from PubChem (CID 110477150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).