CID 147628460

C6H7N — CID 147628460

IUPAC—
SMILESNCC1=C=CC=C1
InChIInChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-3H,5,7H2
InChIKeyGFFZOUIPOQQWHZ-UHFFFAOYSA-N
MW93.13 g/mol
LogP0.60
Rot. Bonds1

About CID 147628460

CID 147628460 (PubChem CID 147628460) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol.

Molecular Properties

Compound NameCID 147628460
PubChem CID147628460
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name—
SMILESNCC1=C=CC=C1
InChIInChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-3H,5,7H2
InChIKeyGFFZOUIPOQQWHZ-UHFFFAOYSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 147628460?
The IUPAC name of CID 147628460 (CID 147628460) is not available.
What is the SMILES notation for CID 147628460?
The canonical SMILES for CID 147628460 is NCC1=C=CC=C1.
What is the InChIKey of CID 147628460?
The InChIKey is GFFZOUIPOQQWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-3H,5,7H2.
What are the key properties of CID 147628460?
CID 147628460 has a molecular weight of 93.13 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147628460 is sourced from PubChem (CID 147628460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).