CID 177364720

C11H12NO — CID 177364720

IUPAC—
SMILES[CH2]c1cc(C)ccc1NC(=O)C=C
InChIInChI=1S/C11H12NO/c1-4-11(13)12-10-6-5-8(2)7-9(10)3/h4-7H,1,3H2,2H3,(H,12,13)
InChIKeyHZIHFCGXCYVHRA-UHFFFAOYSA-N
MW174.22 g/mol
LogP2.30
Rot. Bonds2

About CID 177364720

CID 177364720 (PubChem CID 177364720) has the molecular formula C11H12NO and a molecular weight of 174.22 g/mol.

Molecular Properties

Compound NameCID 177364720
PubChem CID177364720
Molecular FormulaC11H12NO
Molecular Weight174.22 g/mol
Exact Mass174.09
IUPAC Name—
SMILES[CH2]c1cc(C)ccc1NC(=O)C=C
InChIInChI=1S/C11H12NO/c1-4-11(13)12-10-6-5-8(2)7-9(10)3/h4-7H,1,3H2,2H3,(H,12,13)
InChIKeyHZIHFCGXCYVHRA-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
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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N-[3-(4-methylphenyl)phenyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of CID 177364720?
The IUPAC name of CID 177364720 (CID 177364720) is not available.
What is the SMILES notation for CID 177364720?
The canonical SMILES for CID 177364720 is [CH2]c1cc(C)ccc1NC(=O)C=C.
What is the InChIKey of CID 177364720?
The InChIKey is HZIHFCGXCYVHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO/c1-4-11(13)12-10-6-5-8(2)7-9(10)3/h4-7H,1,3H2,2H3,(H,12,13).
What are the key properties of CID 177364720?
CID 177364720 has a molecular weight of 174.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177364720 is sourced from PubChem (CID 177364720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).