CID 100981568

C11H11O — CID 100981568

IUPAC—
SMILES[CH2]c1ccccc1C(=C)C(C)=O
InChIInChI=1S/C11H11O/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7H,1-2H2,3H3
InChIKeyJGIVTWYRDYZSGU-UHFFFAOYSA-N
MW159.21 g/mol
LogP2.47
Rot. Bonds2

About CID 100981568

CID 100981568 (PubChem CID 100981568) has the molecular formula C11H11O and a molecular weight of 159.21 g/mol.

Molecular Properties

Compound NameCID 100981568
PubChem CID100981568
Molecular FormulaC11H11O
Molecular Weight159.21 g/mol
Exact Mass159.08
IUPAC Name—
SMILES[CH2]c1ccccc1C(=C)C(C)=O
InChIInChI=1S/C11H11O/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7H,1-2H2,3H3
InChIKeyJGIVTWYRDYZSGU-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 68638096
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2-(2-methylphenyl)prop-2-enamide
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2-[2-[2-(1-carboxyethenyl)phenyl]phenyl]prop-2-enoic acid
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1,2-bis(prop-1-en-2-yl)benzene;propane
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Frequently Asked Questions

What is the IUPAC name of CID 100981568?
The IUPAC name of CID 100981568 (CID 100981568) is not available.
What is the SMILES notation for CID 100981568?
The canonical SMILES for CID 100981568 is [CH2]c1ccccc1C(=C)C(C)=O.
What is the InChIKey of CID 100981568?
The InChIKey is JGIVTWYRDYZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O/c1-8-6-4-5-7-11(8)9(2)10(3)12/h4-7H,1-2H2,3H3.
What are the key properties of CID 100981568?
CID 100981568 has a molecular weight of 159.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100981568 is sourced from PubChem (CID 100981568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).