2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole

C16H15N — CID 155470797

IUPAC2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
SMILESC#CCn1c(C=C)c(/C=C\C)c2ccccc21
InChIInChI=1S/C16H15N/c1-4-9-13-14-10-7-8-11-16(14)17(12-5-2)15(13)6-3/h2,4,6-11H,3,12H2,1H3/b9-4-
InChIKeyVKRKFFIBDAJTOM-WTKPLQERSA-N
MW221.30 g/mol
LogP3.95
Rot. Bonds3

About 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole

2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole (PubChem CID 155470797) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole.

Molecular Properties

Compound Name2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
PubChem CID155470797
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
SMILESC#CCn1c(C=C)c(/C=C\C)c2ccccc21
InChIInChI=1S/C16H15N/c1-4-9-13-14-10-7-8-11-16(14)17(12-5-2)15(13)6-3/h2,4,6-11H,3,12H2,1H3/b9-4-
InChIKeyVKRKFFIBDAJTOM-WTKPLQERSA-N
XLogP3.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole?
The IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole (CID 155470797) is 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole.
What is the SMILES notation for 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole?
The canonical SMILES for 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole is C#CCn1c(C=C)c(/C=C\C)c2ccccc21.
What is the InChIKey of 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole?
The InChIKey is VKRKFFIBDAJTOM-WTKPLQERSA-N. The full InChI is InChI=1S/C16H15N/c1-4-9-13-14-10-7-8-11-16(14)17(12-5-2)15(13)6-3/h2,4,6-11H,3,12H2,1H3/b9-4-.
What are the key properties of 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole?
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole has a molecular weight of 221.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole is sourced from PubChem (CID 155470797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).