CID 152649062

C9H8 — CID 152649062

IUPAC—
SMILESC=C=C1CC2=CC=C1C2
InChIInChI=1S/C9H8/c1-2-8-5-7-3-4-9(8)6-7/h3-4H,1,5-6H2
InChIKeyZHECOVVBSLCYJK-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.36
Rot. Bonds

About CID 152649062

CID 152649062 (PubChem CID 152649062) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol.

Molecular Properties

Compound NameCID 152649062
PubChem CID152649062
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Name—
SMILESC=C=C1CC2=CC=C1C2
InChIInChI=1S/C9H8/c1-2-8-5-7-3-4-9(8)6-7/h3-4H,1,5-6H2
InChIKeyZHECOVVBSLCYJK-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 152649062?
The IUPAC name of CID 152649062 (CID 152649062) is not available.
What is the SMILES notation for CID 152649062?
The canonical SMILES for CID 152649062 is C=C=C1CC2=CC=C1C2.
What is the InChIKey of CID 152649062?
The InChIKey is ZHECOVVBSLCYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-2-8-5-7-3-4-9(8)6-7/h3-4H,1,5-6H2.
What are the key properties of CID 152649062?
CID 152649062 has a molecular weight of 116.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152649062 is sourced from PubChem (CID 152649062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).