3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid

C11H13NO3 — CID 105460163

IUPAC3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCNC1COc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C11H13NO3/c1-12-9-5-8-4-7(11(13)14)2-3-10(8)15-6-9/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyYUUIUTCNTRGMAQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.91
Rot. Bonds2

About 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid

3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 105460163) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID105460163
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCNC1COc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C11H13NO3/c1-12-9-5-8-4-7(11(13)14)2-3-10(8)15-6-9/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyYUUIUTCNTRGMAQ-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 105460163) is 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid is CNC1COc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is YUUIUTCNTRGMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-9-5-8-4-7(11(13)14)2-3-10(8)15-6-9/h2-4,9,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 105460163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).