CID 58757170

C6H8N — CID 58757170

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

About CID 58757170

CID 58757170 (PubChem CID 58757170) has the molecular formula C6H8N and a molecular weight of 94.14 g/mol.

Molecular Properties

Compound NameCID 58757170
PubChem CID58757170
Molecular FormulaC6H8N
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name—
SMILESCC1=C(C)N=C[CH]1
InChIInChI=1S/C6H8N/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKeyVMAJLSPCNHQNSS-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 58757170?
The IUPAC name of CID 58757170 (CID 58757170) is not available.
What is the SMILES notation for CID 58757170?
The canonical SMILES for CID 58757170 is CC1=C(C)N=C[CH]1.
What is the InChIKey of CID 58757170?
The InChIKey is VMAJLSPCNHQNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-5-3-4-7-6(5)2/h3-4H,1-2H3.
What are the key properties of CID 58757170?
CID 58757170 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 58757170 is sourced from PubChem (CID 58757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).