2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

C11H16BrNO — CID 81222527

IUPAC2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESO=C(CBr)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C11H16BrNO/c12-8-11(14)13(10-6-7-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2
InChIKeyZPXABGOUSCZJDH-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (PubChem CID 81222527) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
PubChem CID81222527
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESO=C(CBr)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C11H16BrNO/c12-8-11(14)13(10-6-7-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2
InChIKeyZPXABGOUSCZJDH-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (CID 81222527) is 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is O=C(CBr)N(C1=CCCCC1)C1CC1.
What is the InChIKey of 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The InChIKey is ZPXABGOUSCZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c12-8-11(14)13(10-6-7-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2.
What are the key properties of 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide has a molecular weight of 258.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 81222527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).