5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one

C10H11N3O — CID 140804797

IUPAC5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one
SMILES[C-]#[N+]C1(Nc2ccc(=O)[nH]c2)CCC1
InChIInChI=1S/C10H11N3O/c1-11-10(5-2-6-10)13-8-3-4-9(14)12-7-8/h3-4,7,13H,2,5-6H2,(H,12,14)
InChIKeyRWEAGPWZFJVADN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.59
Rot. Bonds2

About 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one

5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one (PubChem CID 140804797) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one
PubChem CID140804797
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one
SMILES[C-]#[N+]C1(Nc2ccc(=O)[nH]c2)CCC1
InChIInChI=1S/C10H11N3O/c1-11-10(5-2-6-10)13-8-3-4-9(14)12-7-8/h3-4,7,13H,2,5-6H2,(H,12,14)
InChIKeyRWEAGPWZFJVADN-UHFFFAOYSA-N
XLogP1.59
TPSA49.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one?
The IUPAC name of 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one (CID 140804797) is 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one is [C-]#[N+]C1(Nc2ccc(=O)[nH]c2)CCC1.
What is the InChIKey of 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one?
The InChIKey is RWEAGPWZFJVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-10(5-2-6-10)13-8-3-4-9(14)12-7-8/h3-4,7,13H,2,5-6H2,(H,12,14).
What are the key properties of 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one?
5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-isocyanocyclobutyl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 140804797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).