1-(3-bromopropyl)pyrrolidine

C7H14BrN — CID 13034044

IUPAC1-(3-bromopropyl)pyrrolidine
SMILESBrCCCN1CCCC1
InChIInChI=1S/C7H14BrN/c8-4-3-7-9-5-1-2-6-9/h1-7H2
InChIKeyKLJFMOLCQITNEG-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.87
Rot. Bonds3

About 1-(3-bromopropyl)pyrrolidine

1-(3-bromopropyl)pyrrolidine (PubChem CID 13034044) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 1-(3-bromopropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromopropyl)pyrrolidine
PubChem CID13034044
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name1-(3-bromopropyl)pyrrolidine
SMILESBrCCCN1CCCC1
InChIInChI=1S/C7H14BrN/c8-4-3-7-9-5-1-2-6-9/h1-7H2
InChIKeyKLJFMOLCQITNEG-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromopropyl)pyrrolidine 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

4-(3-bromopropyl)morpholine
CID 13034048
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
ethane;3-pyrrolidin-1-ylpropane-1-thiol
CID 168955695
1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62968303
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
1-(2-bromoethyl)-4-pentyl-1,4-diazepane
CID 80668234
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
ethane;1-nonylpiperidine
CID 177011009
2-(3-bromopropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151041

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)pyrrolidine?
The IUPAC name of 1-(3-bromopropyl)pyrrolidine (CID 13034044) is 1-(3-bromopropyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromopropyl)pyrrolidine?
The canonical SMILES for 1-(3-bromopropyl)pyrrolidine is BrCCCN1CCCC1.
What is the InChIKey of 1-(3-bromopropyl)pyrrolidine?
The InChIKey is KLJFMOLCQITNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c8-4-3-7-9-5-1-2-6-9/h1-7H2.
What are the key properties of 1-(3-bromopropyl)pyrrolidine?
1-(3-bromopropyl)pyrrolidine has a molecular weight of 192.10 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)pyrrolidine is sourced from PubChem (CID 13034044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).