6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one

C15H19NO — CID 162856076

IUPAC6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one
SMILESC=CC1(C)C=C2NC(=O)C(C)=C2CC1C(=C)C
InChIInChI=1S/C15H19NO/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(17)16-13/h6,8,12H,1-2,7H2,3-5H3,(H,16,17)
InChIKeyKHYMPNHQRKVOEQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.10
Rot. Bonds2

About 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one

6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one (PubChem CID 162856076) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one
PubChem CID162856076
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one
SMILESC=CC1(C)C=C2NC(=O)C(C)=C2CC1C(=C)C
InChIInChI=1S/C15H19NO/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(17)16-13/h6,8,12H,1-2,7H2,3-5H3,(H,16,17)
InChIKeyKHYMPNHQRKVOEQ-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one?
The IUPAC name of 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one (CID 162856076) is 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one.
What is the SMILES notation for 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one?
The canonical SMILES for 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one is C=CC1(C)C=C2NC(=O)C(C)=C2CC1C(=C)C.
What is the InChIKey of 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one?
The InChIKey is KHYMPNHQRKVOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(17)16-13/h6,8,12H,1-2,7H2,3-5H3,(H,16,17).
What are the key properties of 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one?
6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-4,5-dihydro-1H-indol-2-one is sourced from PubChem (CID 162856076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).