CID 59694672

C8H11NO — CID 59694672

IUPAC—
SMILES[CH]C1=CCCN(C(C)=O)C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-9(6-7)8(2)10/h1,4H,3,5-6H2,2H3
InChIKeyFYXQPMQKTLCPMG-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.88
Rot. Bonds

About CID 59694672

CID 59694672 (PubChem CID 59694672) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol.

Molecular Properties

Compound NameCID 59694672
PubChem CID59694672
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name—
SMILES[CH]C1=CCCN(C(C)=O)C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-9(6-7)8(2)10/h1,4H,3,5-6H2,2H3
InChIKeyFYXQPMQKTLCPMG-UHFFFAOYSA-N
XLogP0.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59694672?
The IUPAC name of CID 59694672 (CID 59694672) is not available.
What is the SMILES notation for CID 59694672?
The canonical SMILES for CID 59694672 is [CH]C1=CCCN(C(C)=O)C1.
What is the InChIKey of CID 59694672?
The InChIKey is FYXQPMQKTLCPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-4-3-5-9(6-7)8(2)10/h1,4H,3,5-6H2,2H3.
What are the key properties of CID 59694672?
CID 59694672 has a molecular weight of 137.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694672 is sourced from PubChem (CID 59694672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).