CID 91427148

C10H13+ — CID 91427148

IUPAC—
SMILESCC1=CC(=C(C=C1C)[CH2+])C
InChIInChI=1S/C10H13/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1H2,2-4H3/q+1
InChIKeyIDQVFGVUOSGSAM-UHFFFAOYSA-N
MW133.21 g/mol
LogP4.00
Rot. Bonds

About CID 91427148

CID 91427148 (PubChem CID 91427148) has the molecular formula C10H13+ and a molecular weight of 133.21 g/mol.

Molecular Properties

Compound NameCID 91427148
PubChem CID91427148
Molecular FormulaC10H13+
Molecular Weight133.21 g/mol
Exact Mass133.10
IUPAC Name—
SMILESCC1=CC(=C(C=C1C)[CH2+])C
InChIInChI=1S/C10H13/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1H2,2-4H3/q+1
InChIKeyIDQVFGVUOSGSAM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity107

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91427148?
The IUPAC name of CID 91427148 (CID 91427148) is not available.
What is the SMILES notation for CID 91427148?
The canonical SMILES for CID 91427148 is CC1=CC(=C(C=C1C)[CH2+])C.
What is the InChIKey of CID 91427148?
The InChIKey is IDQVFGVUOSGSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1H2,2-4H3/q+1.
What are the key properties of CID 91427148?
CID 91427148 has a molecular weight of 133.21 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91427148 is sourced from PubChem (CID 91427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).