1-pent-4-enylcyclopropane-1-carbaldehyde

C9H14O — CID 126997266

IUPAC1-pent-4-enylcyclopropane-1-carbaldehyde
SMILESC=CCCCC1(C=O)CC1
InChIInChI=1S/C9H14O/c1-2-3-4-5-9(8-10)6-7-9/h2,8H,1,3-7H2
InChIKeyZXZPAQKZWODXQC-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds5

About 1-pent-4-enylcyclopropane-1-carbaldehyde

1-pent-4-enylcyclopropane-1-carbaldehyde (PubChem CID 126997266) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-pent-4-enylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-pent-4-enylcyclopropane-1-carbaldehyde
PubChem CID126997266
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-pent-4-enylcyclopropane-1-carbaldehyde
SMILESC=CCCCC1(C=O)CC1
InChIInChI=1S/C9H14O/c1-2-3-4-5-9(8-10)6-7-9/h2,8H,1,3-7H2
InChIKeyZXZPAQKZWODXQC-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-pent-4-enylcyclopropane-1-carbaldehyde (CID 126997266) is 1-pent-4-enylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-pent-4-enylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-pent-4-enylcyclopropane-1-carbaldehyde is C=CCCCC1(C=O)CC1.
What is the InChIKey of 1-pent-4-enylcyclopropane-1-carbaldehyde?
The InChIKey is ZXZPAQKZWODXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-9(8-10)6-7-9/h2,8H,1,3-7H2.
What are the key properties of 1-pent-4-enylcyclopropane-1-carbaldehyde?
1-pent-4-enylcyclopropane-1-carbaldehyde has a molecular weight of 138.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 126997266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).