N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide

C13H22BrNO2 — CID 114314002

IUPACN-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NC1(CBr)CCCCC1
InChIInChI=1S/C13H22BrNO2/c14-10-13(6-2-1-3-7-13)15-12(16)9-11-5-4-8-17-11/h11H,1-10H2,(H,15,16)
InChIKeyHDXZWFBODUYFPI-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide

N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide (PubChem CID 114314002) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
PubChem CID114314002
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NC1(CBr)CCCCC1
InChIInChI=1S/C13H22BrNO2/c14-10-13(6-2-1-3-7-13)15-12(16)9-11-5-4-8-17-11/h11H,1-10H2,(H,15,16)
InChIKeyHDXZWFBODUYFPI-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.77
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-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide (CID 114314002) is N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is HDXZWFBODUYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c14-10-13(6-2-1-3-7-13)15-12(16)9-11-5-4-8-17-11/h11H,1-10H2,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide?
N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 304.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 114314002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).