CID 5475847

C6H8N — CID 5475847

IUPAC—
SMILESCC1=C[N]CC=C1
InChIInChI=1S/C6H8N/c1-6-3-2-4-7-5-6/h2-3,5H,4H2,1H3
InChIKeyCZSGGYPEUFBCHO-UHFFFAOYSA-N
MW94.14 g/mol
LogP1.06
Rot. Bonds

About CID 5475847

CID 5475847 (PubChem CID 5475847) has the molecular formula C6H8N and a molecular weight of 94.14 g/mol.

Molecular Properties

Compound NameCID 5475847
PubChem CID5475847
Molecular FormulaC6H8N
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name—
SMILESCC1=C[N]CC=C1
InChIInChI=1S/C6H8N/c1-6-3-2-4-7-5-6/h2-3,5H,4H2,1H3
InChIKeyCZSGGYPEUFBCHO-UHFFFAOYSA-N
XLogP1.06
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 5475847?
The IUPAC name of CID 5475847 (CID 5475847) is not available.
What is the SMILES notation for CID 5475847?
The canonical SMILES for CID 5475847 is CC1=C[N]CC=C1.
What is the InChIKey of CID 5475847?
The InChIKey is CZSGGYPEUFBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-6-3-2-4-7-5-6/h2-3,5H,4H2,1H3.
What are the key properties of CID 5475847?
CID 5475847 has a molecular weight of 94.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5475847 is sourced from PubChem (CID 5475847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).