1-bromopropylcyclopentane

C8H15Br — CID 79303747

IUPAC1-bromopropylcyclopentane
SMILESCCC(Br)C1CCCC1
InChIInChI=1S/C8H15Br/c1-2-8(9)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyKNPLAKORORSTKV-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.35
Rot. Bonds2

About 1-bromopropylcyclopentane

1-bromopropylcyclopentane (PubChem CID 79303747) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 1-bromopropylcyclopentane.

Molecular Properties

Compound Name1-bromopropylcyclopentane
PubChem CID79303747
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name1-bromopropylcyclopentane
SMILESCCC(Br)C1CCCC1
InChIInChI=1S/C8H15Br/c1-2-8(9)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyKNPLAKORORSTKV-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropylcyclopentane?
The IUPAC name of 1-bromopropylcyclopentane (CID 79303747) is 1-bromopropylcyclopentane.
What is the SMILES notation for 1-bromopropylcyclopentane?
The canonical SMILES for 1-bromopropylcyclopentane is CCC(Br)C1CCCC1.
What is the InChIKey of 1-bromopropylcyclopentane?
The InChIKey is KNPLAKORORSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-2-8(9)7-5-3-4-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-bromopropylcyclopentane?
1-bromopropylcyclopentane has a molecular weight of 191.11 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropylcyclopentane is sourced from PubChem (CID 79303747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).