CID 11138473

C6H8N — CID 11138473

IUPAC—
SMILESC[C]1C=CC(C)=N1
InChIInChI=1S/C6H8N/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKeyIKWJKXMMTRXCDI-UHFFFAOYSA-N
MW94.14 g/mol
LogP1.57
Rot. Bonds

About CID 11138473

CID 11138473 (PubChem CID 11138473) has the molecular formula C6H8N and a molecular weight of 94.14 g/mol.

Molecular Properties

Compound NameCID 11138473
PubChem CID11138473
Molecular FormulaC6H8N
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name—
SMILESC[C]1C=CC(C)=N1
InChIInChI=1S/C6H8N/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKeyIKWJKXMMTRXCDI-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 11138473?
The IUPAC name of CID 11138473 (CID 11138473) is not available.
What is the SMILES notation for CID 11138473?
The canonical SMILES for CID 11138473 is C[C]1C=CC(C)=N1.
What is the InChIKey of CID 11138473?
The InChIKey is IKWJKXMMTRXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-5-3-4-6(2)7-5/h3-4H,1-2H3.
What are the key properties of CID 11138473?
CID 11138473 has a molecular weight of 94.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11138473 is sourced from PubChem (CID 11138473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).