Npc24459

C6H9 — CID 10873974

IUPAC—
SMILES[CH]1C=CCCC1
InChIInChI=1S/C6H9/c1-2-4-6-5-3-1/h1-3H,4-6H2
InChIKeyFHEPZBIUHGLJMP-UHFFFAOYSA-N
MW81.14 g/mol
LogP1.93
Rot. Bonds

About Npc24459

Npc24459 (PubChem CID 10873974) has the molecular formula C6H9 and a molecular weight of 81.14 g/mol.

Molecular Properties

Compound NameNpc24459
PubChem CID10873974
Molecular FormulaC6H9
Molecular Weight81.14 g/mol
Exact Mass81.07
IUPAC Name—
SMILES[CH]1C=CCCC1
InChIInChI=1S/C6H9/c1-2-4-6-5-3-1/h1-3H,4-6H2
InChIKeyFHEPZBIUHGLJMP-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Npc24459?
The IUPAC name of Npc24459 (CID 10873974) is not available.
What is the SMILES notation for Npc24459?
The canonical SMILES for Npc24459 is [CH]1C=CCCC1.
What is the InChIKey of Npc24459?
The InChIKey is FHEPZBIUHGLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9/c1-2-4-6-5-3-1/h1-3H,4-6H2.
What are the key properties of Npc24459?
Npc24459 has a molecular weight of 81.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Npc24459 is sourced from PubChem (CID 10873974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).