benzene;propa-1,2-diene

C9H10 — CID 159058738

IUPACbenzene;propa-1,2-diene
SMILESC=C=C.c1ccccc1
InChIInChI=1S/C6H6.C3H4/c1-2-4-6-5-3-1;1-3-2/h1-6H;1-2H2
InChIKeyJYEOTDZDHVFKMU-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.64
Rot. Bonds

About benzene;propa-1,2-diene

benzene;propa-1,2-diene (PubChem CID 159058738) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is benzene;propa-1,2-diene.

Molecular Properties

Compound Namebenzene;propa-1,2-diene
PubChem CID159058738
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Namebenzene;propa-1,2-diene
SMILESC=C=C.c1ccccc1
InChIInChI=1S/C6H6.C3H4/c1-2-4-6-5-3-1;1-3-2/h1-6H;1-2H2
InChIKeyJYEOTDZDHVFKMU-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;propa-1,2-diene?
The IUPAC name of benzene;propa-1,2-diene (CID 159058738) is benzene;propa-1,2-diene.
What is the SMILES notation for benzene;propa-1,2-diene?
The canonical SMILES for benzene;propa-1,2-diene is C=C=C.c1ccccc1.
What is the InChIKey of benzene;propa-1,2-diene?
The InChIKey is JYEOTDZDHVFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H4/c1-2-4-6-5-3-1;1-3-2/h1-6H;1-2H2.
What are the key properties of benzene;propa-1,2-diene?
benzene;propa-1,2-diene has a molecular weight of 118.18 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;propa-1,2-diene is sourced from PubChem (CID 159058738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).