CID 101022784

C10H12NO3 — CID 101022784

IUPAC—
SMILESCOc1cc(OC)c(C=[N])c(OC)c1
InChIInChI=1S/C10H12NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChIKeyKYEMUVPALVEMSO-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.93
Rot. Bonds4

About CID 101022784

CID 101022784 (PubChem CID 101022784) has the molecular formula C10H12NO3 and a molecular weight of 194.21 g/mol.

Molecular Properties

Compound NameCID 101022784
PubChem CID101022784
Molecular FormulaC10H12NO3
Molecular Weight194.21 g/mol
Exact Mass194.08
IUPAC Name—
SMILESCOc1cc(OC)c(C=[N])c(OC)c1
InChIInChI=1S/C10H12NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChIKeyKYEMUVPALVEMSO-UHFFFAOYSA-N
XLogP0.93
TPSA49.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
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(2-formyl-3,5-dimethoxyphenyl)boronic acid
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(2E,5E)-2,5-bis[(2,4,6-trimethoxyphenyl)methylidene]cyclopentan-1-one
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1,3,5-trimethoxy-2-[2-(2,4,6-trimethoxyphenyl)ethynyl]benzene
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Frequently Asked Questions

What is the IUPAC name of CID 101022784?
The IUPAC name of CID 101022784 (CID 101022784) is not available.
What is the SMILES notation for CID 101022784?
The canonical SMILES for CID 101022784 is COc1cc(OC)c(C=[N])c(OC)c1.
What is the InChIKey of CID 101022784?
The InChIKey is KYEMUVPALVEMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3.
What are the key properties of CID 101022784?
CID 101022784 has a molecular weight of 194.21 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101022784 is sourced from PubChem (CID 101022784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).