2-but-1-enylcyclopenta-1,3-diene

C9H12 — CID 73196654

IUPAC2-but-1-enylcyclopenta-1,3-diene
SMILESCCC=CC1=CCC=C1
InChIInChI=1S/C9H12/c1-2-3-6-9-7-4-5-8-9/h3-4,6-8H,2,5H2,1H3
InChIKeyCZPPBKICZBYURB-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds2

About 2-but-1-enylcyclopenta-1,3-diene

2-but-1-enylcyclopenta-1,3-diene (PubChem CID 73196654) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2-but-1-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-but-1-enylcyclopenta-1,3-diene
PubChem CID73196654
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2-but-1-enylcyclopenta-1,3-diene
SMILESCCC=CC1=CCC=C1
InChIInChI=1S/C9H12/c1-2-3-6-9-7-4-5-8-9/h3-4,6-8H,2,5H2,1H3
InChIKeyCZPPBKICZBYURB-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enylcyclopenta-1,3-diene?
The IUPAC name of 2-but-1-enylcyclopenta-1,3-diene (CID 73196654) is 2-but-1-enylcyclopenta-1,3-diene.
What is the SMILES notation for 2-but-1-enylcyclopenta-1,3-diene?
The canonical SMILES for 2-but-1-enylcyclopenta-1,3-diene is CCC=CC1=CCC=C1.
What is the InChIKey of 2-but-1-enylcyclopenta-1,3-diene?
The InChIKey is CZPPBKICZBYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-3-6-9-7-4-5-8-9/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-but-1-enylcyclopenta-1,3-diene?
2-but-1-enylcyclopenta-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enylcyclopenta-1,3-diene is sourced from PubChem (CID 73196654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).