[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone

C15H26BrNO — CID 112748442

IUPAC[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC(Br)CC1CCCN1C(=O)C1CCCC1(C)C
InChIInChI=1S/C15H26BrNO/c1-11(16)10-12-6-5-9-17(12)14(18)13-7-4-8-15(13,2)3/h11-13H,4-10H2,1-3H3
InChIKeyDAQQUERNJCHAPL-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.98
Rot. Bonds3

About [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone

[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone (PubChem CID 112748442) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
PubChem CID112748442
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC(Br)CC1CCCN1C(=O)C1CCCC1(C)C
InChIInChI=1S/C15H26BrNO/c1-11(16)10-12-6-5-9-17(12)14(18)13-7-4-8-15(13,2)3/h11-13H,4-10H2,1-3H3
InChIKeyDAQQUERNJCHAPL-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone
CID 112748467
(2,2-dimethylcyclohexyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107180809
[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 164648318
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003212
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003183
1-[2-(2-bromopropyl)pyrrolidin-1-yl]octan-1-one
CID 112748469
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 107180505
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone (CID 112748442) is [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone is CC(Br)CC1CCCN1C(=O)C1CCCC1(C)C.
What is the InChIKey of [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is DAQQUERNJCHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-11(16)10-12-6-5-9-17(12)14(18)13-7-4-8-15(13,2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
[2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 316.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromopropyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 112748442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).