5-bromobicyclo[3.3.1]nonane-1-carboxamide

C10H16BrNO — CID 2802847

IUPAC5-bromobicyclo[3.3.1]nonane-1-carboxamide
SMILESNC(=O)C12CCCC(Br)(CCC1)C2
InChIInChI=1S/C10H16BrNO/c11-10-5-1-3-9(7-10,8(12)13)4-2-6-10/h1-7H2,(H2,12,13)
InChIKeyRVAVOJYNTJPTLH-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.35
Rot. Bonds1

About 5-bromobicyclo[3.3.1]nonane-1-carboxamide

5-bromobicyclo[3.3.1]nonane-1-carboxamide (PubChem CID 2802847) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 5-bromobicyclo[3.3.1]nonane-1-carboxamide.

Molecular Properties

Compound Name5-bromobicyclo[3.3.1]nonane-1-carboxamide
PubChem CID2802847
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name5-bromobicyclo[3.3.1]nonane-1-carboxamide
SMILESNC(=O)C12CCCC(Br)(CCC1)C2
InChIInChI=1S/C10H16BrNO/c11-10-5-1-3-9(7-10,8(12)13)4-2-6-10/h1-7H2,(H2,12,13)
InChIKeyRVAVOJYNTJPTLH-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
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 5-bromobicyclo[3.3.1]nonane-1-carboxamide?
The IUPAC name of 5-bromobicyclo[3.3.1]nonane-1-carboxamide (CID 2802847) is 5-bromobicyclo[3.3.1]nonane-1-carboxamide.
What is the SMILES notation for 5-bromobicyclo[3.3.1]nonane-1-carboxamide?
The canonical SMILES for 5-bromobicyclo[3.3.1]nonane-1-carboxamide is NC(=O)C12CCCC(Br)(CCC1)C2.
What is the InChIKey of 5-bromobicyclo[3.3.1]nonane-1-carboxamide?
The InChIKey is RVAVOJYNTJPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-10-5-1-3-9(7-10,8(12)13)4-2-6-10/h1-7H2,(H2,12,13).
What are the key properties of 5-bromobicyclo[3.3.1]nonane-1-carboxamide?
5-bromobicyclo[3.3.1]nonane-1-carboxamide has a molecular weight of 246.15 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromobicyclo[3.3.1]nonane-1-carboxamide is sourced from PubChem (CID 2802847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).