ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole

C17H23N — CID 144820845

IUPACethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
SMILESC/C=C\c1c(/C=C\C)n(C)c2ccccc12.CC
InChIInChI=1S/C15H17N.C2H6/c1-4-8-12-13-10-6-7-11-15(13)16(3)14(12)9-5-2;1-2/h4-11H,1-3H3;1-2H3/b8-4-,9-5-;
InChIKeyQWZZEUNNZZNJHQ-JCXGGTBASA-N
MW241.38 g/mol
LogP5.27
Rot. Bonds2

About ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole

ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole (PubChem CID 144820845) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Nameethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
PubChem CID144820845
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Nameethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
SMILESC/C=C\c1c(/C=C\C)n(C)c2ccccc12.CC
InChIInChI=1S/C15H17N.C2H6/c1-4-8-12-13-10-6-7-11-15(13)16(3)14(12)9-5-2;1-2/h4-11H,1-3H3;1-2H3/b8-4-,9-5-;
InChIKeyQWZZEUNNZZNJHQ-JCXGGTBASA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole?
The IUPAC name of ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole (CID 144820845) is ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole.
What is the SMILES notation for ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole?
The canonical SMILES for ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole is C/C=C\c1c(/C=C\C)n(C)c2ccccc12.CC.
What is the InChIKey of ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole?
The InChIKey is QWZZEUNNZZNJHQ-JCXGGTBASA-N. The full InChI is InChI=1S/C15H17N.C2H6/c1-4-8-12-13-10-6-7-11-15(13)16(3)14(12)9-5-2;1-2/h4-11H,1-3H3;1-2H3/b8-4-,9-5-;.
What are the key properties of ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole?
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole has a molecular weight of 241.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 144820845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).