N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide

C10H11ClN2O — CID 11367819

IUPACN-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1cccc(Cl)n1
InChIInChI=1S/C10H11ClN2O/c1-3-7-13(8(2)14)10-6-4-5-9(11)12-10/h3-6H,1,7H2,2H3
InChIKeyUTHBTVKJZBJSCV-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.27
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide

N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide (PubChem CID 11367819) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide
PubChem CID11367819
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1cccc(Cl)n1
InChIInChI=1S/C10H11ClN2O/c1-3-7-13(8(2)14)10-6-4-5-9(11)12-10/h3-6H,1,7H2,2H3
InChIKeyUTHBTVKJZBJSCV-UHFFFAOYSA-N
XLogP2.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide (CID 11367819) is N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide is C=CCN(C(C)=O)c1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide?
The InChIKey is UTHBTVKJZBJSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-3-7-13(8(2)14)10-6-4-5-9(11)12-10/h3-6H,1,7H2,2H3.
What are the key properties of N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide?
N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide has a molecular weight of 210.66 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 11367819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).