ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate

C19H25NO2 — CID 156548740

IUPACethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(N)c(/C=C(\C)C3CC3)c(C)c2C1
InChIInChI=1S/C19H25NO2/c1-4-22-19(21)15-8-14-10-18(20)17(12(3)16(14)9-15)7-11(2)13-5-6-13/h7,10,13,15H,4-6,8-9,20H2,1-3H3/b11-7+
InChIKeyMZCGBAIKCKSVLX-YRNVUSSQSA-N
MW299.41 g/mol
LogP3.67
Rot. Bonds4

About ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate

ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 156548740) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID156548740
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(N)c(/C=C(\C)C3CC3)c(C)c2C1
InChIInChI=1S/C19H25NO2/c1-4-22-19(21)15-8-14-10-18(20)17(12(3)16(14)9-15)7-11(2)13-5-6-13/h7,10,13,15H,4-6,8-9,20H2,1-3H3/b11-7+
InChIKeyMZCGBAIKCKSVLX-YRNVUSSQSA-N
XLogP3.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-6-iodo-2,3-dihydro-1H-indene-2-carboxylate
CID 156536085
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 131277883
5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-4-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-indene;ethane
CID 156799700
acetaldehyde;5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,4-dimethyl-2,3-dihydro-1H-indene;ethane
CID 156799776
ethyl (2R)-5-formyl-2,3-dihydro-1H-indene-2-carboxylate
CID 129386835
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
CID 139342927
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate (CID 156548740) is ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)C1Cc2cc(N)c(/C=C(\C)C3CC3)c(C)c2C1.
What is the InChIKey of ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is MZCGBAIKCKSVLX-YRNVUSSQSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-22-19(21)15-8-14-10-18(20)17(12(3)16(14)9-15)7-11(2)13-5-6-13/h7,10,13,15H,4-6,8-9,20H2,1-3H3/b11-7+.
What are the key properties of ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 156548740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).