methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate

C13H15NO2 — CID 103239478

IUPACmethyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCc2ccccc21
InChIInChI=1S/C13H15NO2/c1-16-13(15)8-9-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12,14H,6-7H2,1H3/b9-8+
InChIKeyJQUUKWZAOGAIJV-CMDGGOBGSA-N
MW217.27 g/mol
LogP1.95
Rot. Bonds3

About methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate

methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate (PubChem CID 103239478) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate
PubChem CID103239478
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCc2ccccc21
InChIInChI=1S/C13H15NO2/c1-16-13(15)8-9-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12,14H,6-7H2,1H3/b9-8+
InChIKeyJQUUKWZAOGAIJV-CMDGGOBGSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
CID 107853787
methyl (2E,4E)-5-(2,3-dihydro-1H-inden-1-ylamino)-2-(formyloxymethyl)penta-2,4-dienoate
CID 58102875
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
(Z)-but-2-enedioic acid;N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 10266058
methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
CID 113436484
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
CID 43679244
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate (CID 103239478) is methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate is COC(=O)/C=C/NC1CCc2ccccc21.
What is the InChIKey of methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate?
The InChIKey is JQUUKWZAOGAIJV-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13(15)8-9-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12,14H,6-7H2,1H3/b9-8+.
What are the key properties of methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate?
methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate has a molecular weight of 217.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate is sourced from PubChem (CID 103239478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).