amino 3,4-dihydro-2H-chromene-2-carboxylate

C10H11NO3 — CID 59060293

IUPACamino 3,4-dihydro-2H-chromene-2-carboxylate
SMILESNOC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C10H11NO3/c11-14-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6,11H2
InChIKeyFHXIFYPEWJNGTB-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.80
Rot. Bonds1

About amino 3,4-dihydro-2H-chromene-2-carboxylate

amino 3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 59060293) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is amino 3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Nameamino 3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID59060293
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameamino 3,4-dihydro-2H-chromene-2-carboxylate
SMILESNOC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C10H11NO3/c11-14-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6,11H2
InChIKeyFHXIFYPEWJNGTB-UHFFFAOYSA-N
XLogP0.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
CID 11031797
3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate
CID 161219684
1-(3,4-dihydro-2H-chromen-2-yl)-2,2-dimethylpropan-1-one
CID 23567144
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
[[amino-(4-chlorophenyl)methylidene]amino] 3,4-dihydro-2H-chromene-2-carboxylate
CID 2808159
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] (2R)-3,4-dihydro-2H-chromene-2-carboxylate
CID 7189002
3,4-dihydro-2H-chromen-2-ylurea
CID 91352919
(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 6923439
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 130179921
[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 95725078

Frequently Asked Questions

What is the IUPAC name of amino 3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of amino 3,4-dihydro-2H-chromene-2-carboxylate (CID 59060293) is amino 3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for amino 3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for amino 3,4-dihydro-2H-chromene-2-carboxylate is NOC(=O)C1CCc2ccccc2O1.
What is the InChIKey of amino 3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is FHXIFYPEWJNGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-14-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6,11H2.
What are the key properties of amino 3,4-dihydro-2H-chromene-2-carboxylate?
amino 3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 59060293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).