CID 101026886

C7H9 — CID 101026886

IUPAC—
SMILESC=C[C](C=C)C=C
InChIInChI=1S/C7H9/c1-4-7(5-2)6-3/h4-6H,1-3H2
InChIKeyUUCDAQBYMNDNOG-UHFFFAOYSA-N
MW93.15 g/mol
LogP2.12
Rot. Bonds3

About CID 101026886

CID 101026886 (PubChem CID 101026886) has the molecular formula C7H9 and a molecular weight of 93.15 g/mol.

Molecular Properties

Compound NameCID 101026886
PubChem CID101026886
Molecular FormulaC7H9
Molecular Weight93.15 g/mol
Exact Mass93.07
IUPAC Name—
SMILESC=C[C](C=C)C=C
InChIInChI=1S/C7H9/c1-4-7(5-2)6-3/h4-6H,1-3H2
InChIKeyUUCDAQBYMNDNOG-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101026886?
The IUPAC name of CID 101026886 (CID 101026886) is not available.
What is the SMILES notation for CID 101026886?
The canonical SMILES for CID 101026886 is C=C[C](C=C)C=C.
What is the InChIKey of CID 101026886?
The InChIKey is UUCDAQBYMNDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9/c1-4-7(5-2)6-3/h4-6H,1-3H2.
What are the key properties of CID 101026886?
CID 101026886 has a molecular weight of 93.15 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101026886 is sourced from PubChem (CID 101026886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).