ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate

C13H17NO2 — CID 69074858

IUPACethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCCc2c1ccn2C
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)9-10-5-4-6-12-11(10)7-8-14(12)2/h7-9H,3-6H2,1-2H3/b10-9-
InChIKeyCXMUWYLPIQMZEB-KTKRTIGZSA-N
MW219.28 g/mol
LogP2.31
Rot. Bonds2

About ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate

ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate (PubChem CID 69074858) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate
PubChem CID69074858
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCCc2c1ccn2C
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)9-10-5-4-6-12-11(10)7-8-14(12)2/h7-9H,3-6H2,1-2H3/b10-9-
InChIKeyCXMUWYLPIQMZEB-KTKRTIGZSA-N
XLogP2.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate (CID 69074858) is ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate is CCOC(=O)/C=C1/CCCc2c1ccn2C.
What is the InChIKey of ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate?
The InChIKey is CXMUWYLPIQMZEB-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-13(15)9-10-5-4-6-12-11(10)7-8-14(12)2/h7-9H,3-6H2,1-2H3/b10-9-.
What are the key properties of ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate?
ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate is sourced from PubChem (CID 69074858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).