CID 90471180

C9H8N — CID 90471180

IUPAC—
SMILESCc1cccc2c1=C[CH]N=2
InChIInChI=1S/C9H8N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H3
InChIKeyGETGTCHPAMDDHG-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.57
Rot. Bonds

About CID 90471180

CID 90471180 (PubChem CID 90471180) has the molecular formula C9H8N and a molecular weight of 130.17 g/mol.

Molecular Properties

Compound NameCID 90471180
PubChem CID90471180
Molecular FormulaC9H8N
Molecular Weight130.17 g/mol
Exact Mass130.07
IUPAC Name—
SMILESCc1cccc2c1=C[CH]N=2
InChIInChI=1S/C9H8N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H3
InChIKeyGETGTCHPAMDDHG-UHFFFAOYSA-N
XLogP0.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 90471180?
The IUPAC name of CID 90471180 (CID 90471180) is not available.
What is the SMILES notation for CID 90471180?
The canonical SMILES for CID 90471180 is Cc1cccc2c1=C[CH]N=2.
What is the InChIKey of CID 90471180?
The InChIKey is GETGTCHPAMDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H3.
What are the key properties of CID 90471180?
CID 90471180 has a molecular weight of 130.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90471180 is sourced from PubChem (CID 90471180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).