CID 58757171

C6H8N — CID 58757171

IUPAC—
SMILESCC1=CN=C(C)[CH]1
InChIInChI=1S/C6H8N/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKeyNHJRXMJGDMOERY-UHFFFAOYSA-N
MW94.14 g/mol
LogP1.57
Rot. Bonds

About CID 58757171

CID 58757171 (PubChem CID 58757171) has the molecular formula C6H8N and a molecular weight of 94.14 g/mol.

Molecular Properties

Compound NameCID 58757171
PubChem CID58757171
Molecular FormulaC6H8N
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name—
SMILESCC1=CN=C(C)[CH]1
InChIInChI=1S/C6H8N/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKeyNHJRXMJGDMOERY-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 58757171?
The IUPAC name of CID 58757171 (CID 58757171) is not available.
What is the SMILES notation for CID 58757171?
The canonical SMILES for CID 58757171 is CC1=CN=C(C)[CH]1.
What is the InChIKey of CID 58757171?
The InChIKey is NHJRXMJGDMOERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-5-3-6(2)7-4-5/h3-4H,1-2H3.
What are the key properties of CID 58757171?
CID 58757171 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 58757171 is sourced from PubChem (CID 58757171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).