CID 57461420

C5H10NO — CID 57461420

IUPAC—
SMILESCC[CH]CC(N)=O
InChIInChI=1S/C5H10NO/c1-2-3-4-5(6)7/h3H,2,4H2,1H3,(H2,6,7)
InChIKeyAEABQBMUYZBBCW-UHFFFAOYSA-N
MW100.14 g/mol
LogP0.48
Rot. Bonds3

About CID 57461420

CID 57461420 (PubChem CID 57461420) has the molecular formula C5H10NO and a molecular weight of 100.14 g/mol.

Molecular Properties

Compound NameCID 57461420
PubChem CID57461420
Molecular FormulaC5H10NO
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name—
SMILESCC[CH]CC(N)=O
InChIInChI=1S/C5H10NO/c1-2-3-4-5(6)7/h3H,2,4H2,1H3,(H2,6,7)
InChIKeyAEABQBMUYZBBCW-UHFFFAOYSA-N
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 57461420?
The IUPAC name of CID 57461420 (CID 57461420) is not available.
What is the SMILES notation for CID 57461420?
The canonical SMILES for CID 57461420 is CC[CH]CC(N)=O.
What is the InChIKey of CID 57461420?
The InChIKey is AEABQBMUYZBBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-2-3-4-5(6)7/h3H,2,4H2,1H3,(H2,6,7).
What are the key properties of CID 57461420?
CID 57461420 has a molecular weight of 100.14 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57461420 is sourced from PubChem (CID 57461420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).