5-methylidenecyclopenta-1,2,3-triene

C6H4 — CID 54170616

IUPAC5-methylidenecyclopenta-1,2,3-triene
SMILESC=C1C=C=C=C1
InChIInChI=1S/C6H4/c1-6-4-2-3-5-6/h4-5H,1H2
InChIKeyOUTLMVMBOZNSBF-UHFFFAOYSA-N
MW76.10 g/mol
LogP1.42
Rot. Bonds

About 5-methylidenecyclopenta-1,2,3-triene

5-methylidenecyclopenta-1,2,3-triene (PubChem CID 54170616) has the molecular formula C6H4 and a molecular weight of 76.10 g/mol. Its IUPAC name is 5-methylidenecyclopenta-1,2,3-triene.

Molecular Properties

Compound Name5-methylidenecyclopenta-1,2,3-triene
PubChem CID54170616
Molecular FormulaC6H4
Molecular Weight76.10 g/mol
Exact Mass76.03
IUPAC Name5-methylidenecyclopenta-1,2,3-triene
SMILESC=C1C=C=C=C1
InChIInChI=1S/C6H4/c1-6-4-2-3-5-6/h4-5H,1H2
InChIKeyOUTLMVMBOZNSBF-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4Z,7Z,10Z,13Z)-3,6,9,12,15-pentamethylidenecyclopentadeca-1,4,7,10,13-pentaene
CID 90931509
CID 101068244
CID 101068244
6-methylidenecyclohexa-2,4-diene-1-selone
CID 14249672
ethane;pyrazolo[1,5-a]pyridine
CID 178116843
2,6-ditert-butyl-4-methylidenepyran
CID 12564554
ethane;2-methylpyridine
CID 91471187
5-methyl-6-methylidenecyclohexa-1,2,4-triene
CID 57000988
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen
CID 176523076
CID 100988554
CID 100988554
1,5-dichloro-3-methylidenecyclohexa-1,4-diene
CID 135897186
CID 143707961
CID 143707961
3,6-dimethylidenecyclohexa-1,4-diene;ethane
CID 91063078

Frequently Asked Questions

What is the IUPAC name of 5-methylidenecyclopenta-1,2,3-triene?
The IUPAC name of 5-methylidenecyclopenta-1,2,3-triene (CID 54170616) is 5-methylidenecyclopenta-1,2,3-triene.
What is the SMILES notation for 5-methylidenecyclopenta-1,2,3-triene?
The canonical SMILES for 5-methylidenecyclopenta-1,2,3-triene is C=C1C=C=C=C1.
What is the InChIKey of 5-methylidenecyclopenta-1,2,3-triene?
The InChIKey is OUTLMVMBOZNSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4/c1-6-4-2-3-5-6/h4-5H,1H2.
What are the key properties of 5-methylidenecyclopenta-1,2,3-triene?
5-methylidenecyclopenta-1,2,3-triene has a molecular weight of 76.10 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenecyclopenta-1,2,3-triene is sourced from PubChem (CID 54170616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).