2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide

C10H16ClNO2 — CID 164661015

IUPAC2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide
SMILESC=C(Cl)C(=O)NC1CC(C)OC(C)C1
InChIInChI=1S/C10H16ClNO2/c1-6-4-9(5-7(2)14-6)12-10(13)8(3)11/h6-7,9H,3-5H2,1-2H3,(H,12,13)
InChIKeyAKWMBHKBXIARSW-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.81
Rot. Bonds2

About 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide

2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide (PubChem CID 164661015) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide
PubChem CID164661015
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide
SMILESC=C(Cl)C(=O)NC1CC(C)OC(C)C1
InChIInChI=1S/C10H16ClNO2/c1-6-4-9(5-7(2)14-6)12-10(13)8(3)11/h6-7,9H,3-5H2,1-2H3,(H,12,13)
InChIKeyAKWMBHKBXIARSW-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide (CID 164661015) is 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide is C=C(Cl)C(=O)NC1CC(C)OC(C)C1.
What is the InChIKey of 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide?
The InChIKey is AKWMBHKBXIARSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-6-4-9(5-7(2)14-6)12-10(13)8(3)11/h6-7,9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide?
2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide has a molecular weight of 217.70 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethyloxan-4-yl)prop-2-enamide is sourced from PubChem (CID 164661015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).