N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide

C12H20ClNO2 — CID 106300294

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide
SMILESCC(C(=O)NC1(CCl)CCOCC1)C1CC1
InChIInChI=1S/C12H20ClNO2/c1-9(10-2-3-10)11(15)14-12(8-13)4-6-16-7-5-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeySEDBPSRGPJNMIM-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.94
Rot. Bonds4

About N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide

N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide (PubChem CID 106300294) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide
PubChem CID106300294
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide
SMILESCC(C(=O)NC1(CCl)CCOCC1)C1CC1
InChIInChI=1S/C12H20ClNO2/c1-9(10-2-3-10)11(15)14-12(8-13)4-6-16-7-5-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeySEDBPSRGPJNMIM-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide (CID 106300294) is N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide is CC(C(=O)NC1(CCl)CCOCC1)C1CC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide?
The InChIKey is SEDBPSRGPJNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-9(10-2-3-10)11(15)14-12(8-13)4-6-16-7-5-12/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide?
N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide has a molecular weight of 245.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide is sourced from PubChem (CID 106300294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).