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

C13H15NO2 — CID 107853787

IUPACmethyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NC1Cc2ccccc2C1
InChIInChI=1S/C13H15NO2/c1-16-13(15)6-7-14-12-8-10-4-2-3-5-11(10)9-12/h2-7,12,14H,8-9H2,1H3/b7-6+
InChIKeyYTNWREIIPRANEE-VOTSOKGWSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds3

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

methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate (PubChem CID 107853787) 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-2-ylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
PubChem CID107853787
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NC1Cc2ccccc2C1
InChIInChI=1S/C13H15NO2/c1-16-13(15)6-7-14-12-8-10-4-2-3-5-11(10)9-12/h2-7,12,14H,8-9H2,1H3/b7-6+
InChIKeyYTNWREIIPRANEE-VOTSOKGWSA-N
XLogP1.43
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 ≤ 51.43
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

(E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoic acid
CID 107853805
methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate
CID 103239478
methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate
CID 67145671
methyl (E)-3-[(1-benzylpiperidin-3-yl)amino]prop-2-enoate
CID 103254743
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
CID 43726172
methyl (E)-3-[(1,1-dioxothian-4-yl)amino]prop-2-enoate
CID 103239273
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate
CID 103252994
methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
CID 11310192
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
methyl (E)-3-(1-bromo-3,4-dihydronaphthalen-2-yl)prop-2-enoate
CID 101391920

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate (CID 107853787) is methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate is COC(=O)/C=C/NC1Cc2ccccc2C1.
What is the InChIKey of methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate?
The InChIKey is YTNWREIIPRANEE-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13(15)6-7-14-12-8-10-4-2-3-5-11(10)9-12/h2-7,12,14H,8-9H2,1H3/b7-6+.
What are the key properties of methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate?
methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate has a molecular weight of 217.27 g/mol, XLogP of 1.43, 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-2-ylamino)prop-2-enoate is sourced from PubChem (CID 107853787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).