(3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one

C14H17NO — CID 59959263

IUPAC(3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one
SMILESC/C=C1\C(=O)Nc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C14H17NO/c1-6-11-12-9(4)7(2)8(3)10(5)13(12)15-14(11)16/h6H,1-5H3,(H,15,16)/b11-6-
InChIKeyNNASJUQGPPSRKA-WDZFZDKYSA-N
MW215.30 g/mol
LogP3.28
Rot. Bonds

About (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one

(3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one (PubChem CID 59959263) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one
PubChem CID59959263
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one
SMILESC/C=C1\C(=O)Nc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C14H17NO/c1-6-11-12-9(4)7(2)8(3)10(5)13(12)15-14(11)16/h6H,1-5H3,(H,15,16)/b11-6-
InChIKeyNNASJUQGPPSRKA-WDZFZDKYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one (CID 59959263) is (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one is C/C=C1\C(=O)Nc2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one?
The InChIKey is NNASJUQGPPSRKA-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H17NO/c1-6-11-12-9(4)7(2)8(3)10(5)13(12)15-14(11)16/h6H,1-5H3,(H,15,16)/b11-6-.
What are the key properties of (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one?
(3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4,5,6,7-tetramethyl-1H-indol-2-one is sourced from PubChem (CID 59959263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).