CID 174930358

C8H9N — CID 174930358

IUPAC—
SMILES[3H][3H].c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.H2/c1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;1H/i;1+2T
InChIKeyGRRIIQKGMNTRMO-RCNZPAIWSA-N
MW123.18 g/mol
LogP2.41
Rot. Bonds

About CID 174930358

CID 174930358 (PubChem CID 174930358) has the molecular formula C8H9N and a molecular weight of 123.18 g/mol.

Molecular Properties

Compound NameCID 174930358
PubChem CID174930358
Molecular FormulaC8H9N
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name—
SMILES[3H][3H].c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.H2/c1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;1H/i;1+2T
InChIKeyGRRIIQKGMNTRMO-RCNZPAIWSA-N
XLogP2.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 174930358?
The IUPAC name of CID 174930358 (CID 174930358) is not available.
What is the SMILES notation for CID 174930358?
The canonical SMILES for CID 174930358 is [3H][3H].c1ccc2[nH]ccc2c1.
What is the InChIKey of CID 174930358?
The InChIKey is GRRIIQKGMNTRMO-RCNZPAIWSA-N. The full InChI is InChI=1S/C8H7N.H2/c1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;1H/i;1+2T.
What are the key properties of CID 174930358?
CID 174930358 has a molecular weight of 123.18 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174930358 is sourced from PubChem (CID 174930358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).