methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate

C15H17NO3 — CID 146103253

IUPACmethyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(C(=O)OC)C1CCc2ccccc21
InChIInChI=1S/C15H17NO3/c1-3-13(17)16-14(15(18)19-2)12-9-8-10-6-4-5-7-11(10)12/h3-7,12,14H,1,8-9H2,2H3,(H,16,17)
InChIKeyJBDBLAUNISVGBQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds4

About methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate

methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate (PubChem CID 146103253) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate
PubChem CID146103253
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(C(=O)OC)C1CCc2ccccc21
InChIInChI=1S/C15H17NO3/c1-3-13(17)16-14(15(18)19-2)12-9-8-10-6-4-5-7-11(10)12/h3-7,12,14H,1,8-9H2,2H3,(H,16,17)
InChIKeyJBDBLAUNISVGBQ-UHFFFAOYSA-N
XLogP1.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
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 2-(diaminomethylideneamino)-2-(2,3-dihydro-1H-inden-1-yl)acetate
CID 175240228
methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-[(6-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]acetate
CID 167844275
methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
CID 163202613
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 51358311
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 113369459
1-(2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
CID 67418342
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
phenyl 2-(2,3-dihydro-1H-inden-1-yl)-2-sulfanylacetate
CID 87904940

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate (CID 146103253) is methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate is C=CC(=O)NC(C(=O)OC)C1CCc2ccccc21.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate?
The InChIKey is JBDBLAUNISVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-13(17)16-14(15(18)19-2)12-9-8-10-6-4-5-7-11(10)12/h3-7,12,14H,1,8-9H2,2H3,(H,16,17).
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate?
methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate has a molecular weight of 259.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 146103253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).