1-(bromomethyl)-2,3-dihydropyrrole

C5H8BrN — CID 139880278

IUPAC1-(bromomethyl)-2,3-dihydropyrrole
SMILESBrCN1C=CCC1
InChIInChI=1S/C5H8BrN/c6-5-7-3-1-2-4-7/h1,3H,2,4-5H2
InChIKeyNVVUFTACDNQIFX-UHFFFAOYSA-N
MW162.03 g/mol
LogP1.56
Rot. Bonds1

About 1-(bromomethyl)-2,3-dihydropyrrole

1-(bromomethyl)-2,3-dihydropyrrole (PubChem CID 139880278) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(bromomethyl)-2,3-dihydropyrrole
PubChem CID139880278
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC Name1-(bromomethyl)-2,3-dihydropyrrole
SMILESBrCN1C=CCC1
InChIInChI=1S/C5H8BrN/c6-5-7-3-1-2-4-7/h1,3H,2,4-5H2
InChIKeyNVVUFTACDNQIFX-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-2,3-dihydropyrrole 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

1H-Pyrrole, 2,3-dihydro-1-methyl-
CID 557463
1-Ethylpyrroline
CID 17965882
N-Vinylazolen
CID 18182996
1-(Fluoromethyl)-2,3-dihydropyrrole
CID 139880300
Bromomethyl-1,4-dihydropyridine
CID 129789207
Dibromomethyl-1,4-dihydropyridine
CID 129870058
1,1-Dimethyl-2,3-dihydropyrrol-1-ium
CID 15202843
1-(2-bromoethyl)-4H-pyridine
CID 20147674
1-Ethenyl-1-methyl-2,3-dihydropyrrol-1-ium
CID 53925876
1-Propyl-2,3-dihydropyrrole
CID 54114765
1-(3-Bromopropyl)-2,3-dihydropyrrole;hydrobromide
CID 67211813
1-(3-Bromopropyl)-2,3-dihydropyrrole
CID 67211814

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(bromomethyl)-2,3-dihydropyrrole (CID 139880278) is 1-(bromomethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(bromomethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(bromomethyl)-2,3-dihydropyrrole is BrCN1C=CCC1.
What is the InChIKey of 1-(bromomethyl)-2,3-dihydropyrrole?
The InChIKey is NVVUFTACDNQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN/c6-5-7-3-1-2-4-7/h1,3H,2,4-5H2.
What are the key properties of 1-(bromomethyl)-2,3-dihydropyrrole?
1-(bromomethyl)-2,3-dihydropyrrole has a molecular weight of 162.03 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 139880278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).