1-ethyl-3-prop-1-enylcyclopenta-1,3-diene

C10H14 — CID 57313548

IUPAC1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
SMILESCC=CC1=CCC(CC)=C1
InChIInChI=1S/C10H14/c1-3-5-10-7-6-9(4-2)8-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMBOKSEQPHOMVIE-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds2

About 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene

1-ethyl-3-prop-1-enylcyclopenta-1,3-diene (PubChem CID 57313548) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
PubChem CID57313548
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
SMILESCC=CC1=CCC(CC)=C1
InChIInChI=1S/C10H14/c1-3-5-10-7-6-9(4-2)8-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMBOKSEQPHOMVIE-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene?
The IUPAC name of 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene (CID 57313548) is 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene.
What is the SMILES notation for 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene?
The canonical SMILES for 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene is CC=CC1=CCC(CC)=C1.
What is the InChIKey of 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene?
The InChIKey is MBOKSEQPHOMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-5-10-7-6-9(4-2)8-10/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene?
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-1-enylcyclopenta-1,3-diene is sourced from PubChem (CID 57313548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).