CID 123278933

C11H10NO2- — CID 123278933

IUPAC—
SMILES[CH2-]c1c(CC=O)ccc(C#N)c1OC
InChIInChI=1S/C11H10NO2/c1-8-9(5-6-13)3-4-10(7-12)11(8)14-2/h3-4,6H,1,5H2,2H3/q-1
InChIKeyUDMDEOANZJBROW-UHFFFAOYSA-N
MW188.21 g/mol
LogP1.49
Rot. Bonds3

About CID 123278933

CID 123278933 (PubChem CID 123278933) has the molecular formula C11H10NO2- and a molecular weight of 188.21 g/mol.

Molecular Properties

Compound NameCID 123278933
PubChem CID123278933
Molecular FormulaC11H10NO2-
Molecular Weight188.21 g/mol
Exact Mass188.07
IUPAC Name—
SMILES[CH2-]c1c(CC=O)ccc(C#N)c1OC
InChIInChI=1S/C11H10NO2/c1-8-9(5-6-13)3-4-10(7-12)11(8)14-2/h3-4,6H,1,5H2,2H3/q-1
InChIKeyUDMDEOANZJBROW-UHFFFAOYSA-N
XLogP1.49
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-(2-oxoethyl)benzonitrile
CID 155597384
1,5-dimethoxynaphthalene-2,6-dicarbonitrile
CID 169050323
3-methoxy-4-(2-oxoethyl)benzonitrile
CID 77230687
methyl 2-(4-cyano-3-methoxy-2-methylphenyl)acetate
CID 77230692
3,4-diformyl-2-methoxybenzonitrile
CID 171028234
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
2,3-dimethoxy-4-(trifluoromethyl)benzonitrile
CID 117333541
2-(6-bromo-3-cyano-2-methoxyphenyl)acetic acid
CID 131336357
ethyl 6-cyano-3-formyl-2-methoxybenzoate
CID 134643564
3,4-diamino-2-methoxybenzonitrile
CID 67059560
2-[3-(chloromethyl)-6-cyano-2-methoxyphenyl]acetic acid
CID 131393292
3-(2-chloroacetyl)-4-iodo-2-methoxybenzonitrile
CID 171025325

Frequently Asked Questions

What is the IUPAC name of CID 123278933?
The IUPAC name of CID 123278933 (CID 123278933) is not available.
What is the SMILES notation for CID 123278933?
The canonical SMILES for CID 123278933 is [CH2-]c1c(CC=O)ccc(C#N)c1OC.
What is the InChIKey of CID 123278933?
The InChIKey is UDMDEOANZJBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NO2/c1-8-9(5-6-13)3-4-10(7-12)11(8)14-2/h3-4,6H,1,5H2,2H3/q-1.
What are the key properties of CID 123278933?
CID 123278933 has a molecular weight of 188.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123278933 is sourced from PubChem (CID 123278933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).