2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone

C15H24BrNO — CID 112748467

IUPAC2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone
SMILESCC(Br)CC1CCCN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H24BrNO/c1-10(16)7-13-3-2-6-17(13)15(18)14-9-11-4-5-12(14)8-11/h10-14H,2-9H2,1H3
InChIKeyODIPVZWAQOFSRE-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.59
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone (PubChem CID 112748467) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone
PubChem CID112748467
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone
SMILESCC(Br)CC1CCCN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C15H24BrNO/c1-10(16)7-13-3-2-6-17(13)15(18)14-9-11-4-5-12(14)8-11/h10-14H,2-9H2,1H3
InChIKeyODIPVZWAQOFSRE-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bicyclo[2.2.1]heptanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484137
3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62215608
[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 112748442
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 79546050
1-[2-(2-bromopropyl)pyrrolidin-1-yl]octan-1-one
CID 112748469
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
4-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 102555787
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
1-[2-(2-bromopropyl)piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 112748544
2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66053359
2-bicyclo[2.2.1]heptanyl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704906

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone (CID 112748467) is 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone is CC(Br)CC1CCCN1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone?
The InChIKey is ODIPVZWAQOFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-10(16)7-13-3-2-6-17(13)15(18)14-9-11-4-5-12(14)8-11/h10-14H,2-9H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone has a molecular weight of 314.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112748467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).