CID 154378496

C7H7N — CID 154378496

IUPAC—
SMILESC=C=C1C=CN=CC1
InChIInChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h3,5-6H,1,4H2
InChIKeyPYCUHCUGTPKPFD-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.69
Rot. Bonds

About CID 154378496

CID 154378496 (PubChem CID 154378496) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol.

Molecular Properties

Compound NameCID 154378496
PubChem CID154378496
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name—
SMILESC=C=C1C=CN=CC1
InChIInChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h3,5-6H,1,4H2
InChIKeyPYCUHCUGTPKPFD-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 154378496?
The IUPAC name of CID 154378496 (CID 154378496) is not available.
What is the SMILES notation for CID 154378496?
The canonical SMILES for CID 154378496 is C=C=C1C=CN=CC1.
What is the InChIKey of CID 154378496?
The InChIKey is PYCUHCUGTPKPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h3,5-6H,1,4H2.
What are the key properties of CID 154378496?
CID 154378496 has a molecular weight of 105.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154378496 is sourced from PubChem (CID 154378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).