(3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine

C8H16BrN — CID 95187733

IUPAC(3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](CBr)C1
InChIInChI=1S/C8H16BrN/c1-7(2)10-4-3-8(5-9)6-10/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyGETGPMUBCWOGTD-MRVPVSSYSA-N
MW206.13 g/mol
LogP2.11
Rot. Bonds2

About (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine

(3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine (PubChem CID 95187733) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine
PubChem CID95187733
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name(3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](CBr)C1
InChIInChI=1S/C8H16BrN/c1-7(2)10-4-3-8(5-9)6-10/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyGETGPMUBCWOGTD-MRVPVSSYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.11
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

3-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 71299895
1-(3-Methylbutan-2-yl)pyrrolidine
CID 12239629
3-(Bromomethyl)-1-methylpyrrolidine
CID 56737774
3-(Bromomethyl)-1-(propan-2-yl)pyrrolidine
CID 56737786
2-(Bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
CID 102785354
2-(Bromomethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
CID 102785685
1-(3-Bromo-2-methylpropyl)-3-fluoro-3-methylpyrrolidine
CID 130736608
2-(Bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine
CID 101024643
3-Methyl-1-propan-2-ylpyrrolidine
CID 13402658
3-(Bromomethyl)-1-ethylpyrrolidine
CID 21510495
1-[(2R)-3-methylbutan-2-yl]pyrrolidine
CID 59252945
1-[(2S)-3-methylbutan-2-yl]pyrrolidine
CID 59252951

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine (CID 95187733) is (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@H](CBr)C1.
What is the InChIKey of (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is GETGPMUBCWOGTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-7(2)10-4-3-8(5-9)6-10/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine?
(3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(bromomethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 95187733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).