2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde

C10H15BrO — CID 174498633

IUPAC2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde
SMILESCCCCC1=C(Br)C(C=O)CC1
InChIInChI=1S/C10H15BrO/c1-2-3-4-8-5-6-9(7-12)10(8)11/h7,9H,2-6H2,1H3
InChIKeyLXDQZUFRBWECED-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.43
Rot. Bonds4

About 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde

2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde (PubChem CID 174498633) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde
PubChem CID174498633
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde
SMILESCCCCC1=C(Br)C(C=O)CC1
InChIInChI=1S/C10H15BrO/c1-2-3-4-8-5-6-9(7-12)10(8)11/h7,9H,2-6H2,1H3
InChIKeyLXDQZUFRBWECED-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butylcyclohex-2-ene-1-carbaldehyde
CID 174734502
4-[(E)-but-1-enyl]-3-butylcyclohex-2-en-1-one
CID 71120795
2,6-dibromo-5-dodecyl-3,4-dihydro-2H-thiopyran;ethane
CID 145013688
[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol
CID 174528362
3-(12-hydroxydodecyl)-2-methylcyclohex-2-ene-1-carbaldehyde
CID 174552203
1-bromo-2-nonylcyclopropene
CID 22621660
1-butyl-2-ethylcyclopentene
CID 154086983
(Z)-but-2-enedioic acid;(2-butylcyclobutene-1-carbonyl) 2-butylcyclobutene-1-carboxylate
CID 87195833
4-butyl-1,3-dioxole-2-carbaldehyde
CID 174516282
1-butyl-2-hexylcyclopropene
CID 134897823
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde?
The IUPAC name of 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde (CID 174498633) is 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde is CCCCC1=C(Br)C(C=O)CC1.
What is the InChIKey of 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde?
The InChIKey is LXDQZUFRBWECED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO/c1-2-3-4-8-5-6-9(7-12)10(8)11/h7,9H,2-6H2,1H3.
What are the key properties of 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde?
2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde has a molecular weight of 231.13 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 174498633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).