(3-aminocyclobutyl)-pyridin-2-ylmethanone

C10H12N2O — CID 116917775

IUPAC(3-aminocyclobutyl)-pyridin-2-ylmethanone
SMILESNC1CC(C(=O)c2ccccn2)C1
InChIInChI=1S/C10H12N2O/c11-8-5-7(6-8)10(13)9-3-1-2-4-12-9/h1-4,7-8H,5-6,11H2
InChIKeyOSJWEVAAXSYYGP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.00
Rot. Bonds2

About (3-aminocyclobutyl)-pyridin-2-ylmethanone

(3-aminocyclobutyl)-pyridin-2-ylmethanone (PubChem CID 116917775) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3-aminocyclobutyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-pyridin-2-ylmethanone
PubChem CID116917775
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3-aminocyclobutyl)-pyridin-2-ylmethanone
SMILESNC1CC(C(=O)c2ccccn2)C1
InChIInChI=1S/C10H12N2O/c11-8-5-7(6-8)10(13)9-3-1-2-4-12-9/h1-4,7-8H,5-6,11H2
InChIKeyOSJWEVAAXSYYGP-UHFFFAOYSA-N
XLogP1.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-pyridin-2-ylmethanone?
The IUPAC name of (3-aminocyclobutyl)-pyridin-2-ylmethanone (CID 116917775) is (3-aminocyclobutyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-aminocyclobutyl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-aminocyclobutyl)-pyridin-2-ylmethanone is NC1CC(C(=O)c2ccccn2)C1.
What is the InChIKey of (3-aminocyclobutyl)-pyridin-2-ylmethanone?
The InChIKey is OSJWEVAAXSYYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-5-7(6-8)10(13)9-3-1-2-4-12-9/h1-4,7-8H,5-6,11H2.
What are the key properties of (3-aminocyclobutyl)-pyridin-2-ylmethanone?
(3-aminocyclobutyl)-pyridin-2-ylmethanone has a molecular weight of 176.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 116917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).