CID 175667798

C11H14NO2 — CID 175667798

IUPAC—
SMILESCON(C)[C](O)C=Cc1ccccc1
InChIInChI=1S/C11H14NO2/c1-12(14-2)11(13)9-8-10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChIKeyXQGHFVPGBVLVST-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.05
Rot. Bonds4

About CID 175667798

CID 175667798 (PubChem CID 175667798) has the molecular formula C11H14NO2 and a molecular weight of 192.24 g/mol.

Molecular Properties

Compound NameCID 175667798
PubChem CID175667798
Molecular FormulaC11H14NO2
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name—
SMILESCON(C)[C](O)C=Cc1ccccc1
InChIInChI=1S/C11H14NO2/c1-12(14-2)11(13)9-8-10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChIKeyXQGHFVPGBVLVST-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethylmethanamine;stilbene
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(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372

Frequently Asked Questions

What is the IUPAC name of CID 175667798?
The IUPAC name of CID 175667798 (CID 175667798) is not available.
What is the SMILES notation for CID 175667798?
The canonical SMILES for CID 175667798 is CON(C)[C](O)C=Cc1ccccc1.
What is the InChIKey of CID 175667798?
The InChIKey is XQGHFVPGBVLVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2/c1-12(14-2)11(13)9-8-10-6-4-3-5-7-10/h3-9,13H,1-2H3.
What are the key properties of CID 175667798?
CID 175667798 has a molecular weight of 192.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175667798 is sourced from PubChem (CID 175667798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).