sodium cyclopenta-1,3-diene

C5H6Na+ — CID 19606718

IUPACsodium cyclopenta-1,3-diene
SMILESC1=CCC=C1.[Na+]
InChIInChI=1S/C5H6.Na/c1-2-4-5-3-1;/h1-4H,5H2;/q;+1
InChIKeyYCFFDNSCMFYJQF-UHFFFAOYSA-N
MW89.09 g/mol
LogP-1.49
Rot. Bonds

About sodium cyclopenta-1,3-diene

sodium cyclopenta-1,3-diene (PubChem CID 19606718) has the molecular formula C5H6Na+ and a molecular weight of 89.09 g/mol. Its IUPAC name is sodium cyclopenta-1,3-diene.

Molecular Properties

Compound Namesodium cyclopenta-1,3-diene
PubChem CID19606718
Molecular FormulaC5H6Na+
Molecular Weight89.09 g/mol
Exact Mass89.04
IUPAC Namesodium cyclopenta-1,3-diene
SMILESC1=CCC=C1.[Na+]
InChIInChI=1S/C5H6.Na/c1-2-4-5-3-1;/h1-4H,5H2;/q;+1
InChIKeyYCFFDNSCMFYJQF-UHFFFAOYSA-N
XLogP-1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of sodium cyclopenta-1,3-diene?
The IUPAC name of sodium cyclopenta-1,3-diene (CID 19606718) is sodium cyclopenta-1,3-diene.
What is the SMILES notation for sodium cyclopenta-1,3-diene?
The canonical SMILES for sodium cyclopenta-1,3-diene is C1=CCC=C1.[Na+].
What is the InChIKey of sodium cyclopenta-1,3-diene?
The InChIKey is YCFFDNSCMFYJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.Na/c1-2-4-5-3-1;/h1-4H,5H2;/q;+1.
What are the key properties of sodium cyclopenta-1,3-diene?
sodium cyclopenta-1,3-diene has a molecular weight of 89.09 g/mol, XLogP of -1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclopenta-1,3-diene is sourced from PubChem (CID 19606718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).