CID 159251036

C11H13NO2Sn — CID 159251036

IUPAC—
SMILESCCOC(=O)C1Cc2ccccc2N1.[Sn]
InChIInChI=1S/C11H13NO2.Sn/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h3-6,10,12H,2,7H2,1H3;
InChIKeyKVHMHMWBZVMDRC-UHFFFAOYSA-N
MW309.94 g/mol
LogP1.21
Rot. Bonds2

About CID 159251036

CID 159251036 (PubChem CID 159251036) has the molecular formula C11H13NO2Sn and a molecular weight of 309.94 g/mol.

Molecular Properties

Compound NameCID 159251036
PubChem CID159251036
Molecular FormulaC11H13NO2Sn
Molecular Weight309.94 g/mol
Exact Mass311.00
IUPAC Name—
SMILESCCOC(=O)C1Cc2ccccc2N1.[Sn]
InChIInChI=1S/C11H13NO2.Sn/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h3-6,10,12H,2,7H2,1H3;
InChIKeyKVHMHMWBZVMDRC-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
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ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
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1,1-dihydroxypentyl (2R)-2,3-dihydro-1H-indole-2-carboxylate
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ethyl (2S)-6-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-indole-2-carboxylate
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bis(2,3-dihydro-1H-indol-2-yl)methanone
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ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
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2,3-dihydro-1H-indole-2-carboxylic acid;methanol
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Frequently Asked Questions

What is the IUPAC name of CID 159251036?
The IUPAC name of CID 159251036 (CID 159251036) is not available.
What is the SMILES notation for CID 159251036?
The canonical SMILES for CID 159251036 is CCOC(=O)C1Cc2ccccc2N1.[Sn].
What is the InChIKey of CID 159251036?
The InChIKey is KVHMHMWBZVMDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.Sn/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h3-6,10,12H,2,7H2,1H3;.
What are the key properties of CID 159251036?
CID 159251036 has a molecular weight of 309.94 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159251036 is sourced from PubChem (CID 159251036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).