ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate

C16H21NO3 — CID 79374121

IUPACethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCc2ccc(OC)cc21
InChIInChI=1S/C16H21NO3/c1-4-10-17-16(15(18)20-5-2)9-8-12-6-7-13(19-3)11-14(12)16/h4,6-7,11,17H,1,5,8-10H2,2-3H3
InChIKeyCPKIUQBMDYYGLJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.18
Rot. Bonds6

About ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate

ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate (PubChem CID 79374121) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate
PubChem CID79374121
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCc2ccc(OC)cc21
InChIInChI=1S/C16H21NO3/c1-4-10-17-16(15(18)20-5-2)9-8-12-6-7-13(19-3)11-14(12)16/h4,6-7,11,17H,1,5,8-10H2,2-3H3
InChIKeyCPKIUQBMDYYGLJ-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237
7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79247587
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
CID 103439526
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 60997641
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 79230787
ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809295
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate (CID 79374121) is ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate is C=CCNC1(C(=O)OCC)CCc2ccc(OC)cc21.
What is the InChIKey of ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate?
The InChIKey is CPKIUQBMDYYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-10-17-16(15(18)20-5-2)9-8-12-6-7-13(19-3)11-14(12)16/h4,6-7,11,17H,1,5,8-10H2,2-3H3.
What are the key properties of ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate?
ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 79374121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).