3-(methylamino)-2,4-dihydrochromene-3-carboxamide

C11H14N2O2 — CID 130605065

IUPAC3-(methylamino)-2,4-dihydrochromene-3-carboxamide
SMILESCNC1(C(N)=O)COc2ccccc2C1
InChIInChI=1S/C11H14N2O2/c1-13-11(10(12)14)6-8-4-2-3-5-9(8)15-7-11/h2-5,13H,6-7H2,1H3,(H2,12,14)
InChIKeyBGQAZXHXGPACBB-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.06
Rot. Bonds2

About 3-(methylamino)-2,4-dihydrochromene-3-carboxamide

3-(methylamino)-2,4-dihydrochromene-3-carboxamide (PubChem CID 130605065) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(methylamino)-2,4-dihydrochromene-3-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-2,4-dihydrochromene-3-carboxamide
PubChem CID130605065
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-(methylamino)-2,4-dihydrochromene-3-carboxamide
SMILESCNC1(C(N)=O)COc2ccccc2C1
InChIInChI=1S/C11H14N2O2/c1-13-11(10(12)14)6-8-4-2-3-5-9(8)15-7-11/h2-5,13H,6-7H2,1H3,(H2,12,14)
InChIKeyBGQAZXHXGPACBB-UHFFFAOYSA-N
XLogP0.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(naphthalene-1-carbonylamino)-2,4-dihydrochromene-3-carboxylic acid
CID 167849067
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
CID 61005096
3-prop-1-ynyl-2,4-dihydrochromen-3-ol
CID 130605047
3-(2-methylprop-2-enyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79428492
3-(2-hydroxypropyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79429351
2-N'-methyl-1,3-dihydroindene-2,2-diamine
CID 143105320
2-(propylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 60797133
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2,4-dihydrochromene-3-carboxamide?
The IUPAC name of 3-(methylamino)-2,4-dihydrochromene-3-carboxamide (CID 130605065) is 3-(methylamino)-2,4-dihydrochromene-3-carboxamide.
What is the SMILES notation for 3-(methylamino)-2,4-dihydrochromene-3-carboxamide?
The canonical SMILES for 3-(methylamino)-2,4-dihydrochromene-3-carboxamide is CNC1(C(N)=O)COc2ccccc2C1.
What is the InChIKey of 3-(methylamino)-2,4-dihydrochromene-3-carboxamide?
The InChIKey is BGQAZXHXGPACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-11(10(12)14)6-8-4-2-3-5-9(8)15-7-11/h2-5,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of 3-(methylamino)-2,4-dihydrochromene-3-carboxamide?
3-(methylamino)-2,4-dihydrochromene-3-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2,4-dihydrochromene-3-carboxamide is sourced from PubChem (CID 130605065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).