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

C14H19NO — CID 20664786

IUPAC(3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one
SMILESC/C=C1\C(=O)NC2C(C)=C(C)C(C)=C(C)C12
InChIInChI=1S/C14H19NO/c1-6-11-12-9(4)7(2)8(3)10(5)13(12)15-14(11)16/h6,12-13H,1-5H3,(H,15,16)/b11-6-
InChIKeyHXNAJRPIGUMDHY-WDZFZDKYSA-N
MW217.31 g/mol
LogP2.73
Rot. Bonds

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

(3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one (PubChem CID 20664786) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one
PubChem CID20664786
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one
SMILESC/C=C1\C(=O)NC2C(C)=C(C)C(C)=C(C)C12
InChIInChI=1S/C14H19NO/c1-6-11-12-9(4)7(2)8(3)10(5)13(12)15-14(11)16/h6,12-13H,1-5H3,(H,15,16)/b11-6-
InChIKeyHXNAJRPIGUMDHY-WDZFZDKYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.73
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-3a,7a-dihydro-1H-indol-2-one?
The IUPAC name of (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one (CID 20664786) is (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one is C/C=C1\C(=O)NC2C(C)=C(C)C(C)=C(C)C12.
What is the InChIKey of (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one?
The InChIKey is HXNAJRPIGUMDHY-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H19NO/c1-6-11-12-9(4)7(2)8(3)10(5)13(12)15-14(11)16/h6,12-13H,1-5H3,(H,15,16)/b11-6-.
What are the key properties of (3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one?
(3Z)-3-ethylidene-4,5,6,7-tetramethyl-3a,7a-dihydro-1H-indol-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.73, 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-3a,7a-dihydro-1H-indol-2-one is sourced from PubChem (CID 20664786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).