(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole

C14H17N — CID 126699053

IUPAC(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole
SMILESC=C/C=c1/c2c([nH]/c1=C/C=C)CCCC2
InChIInChI=1S/C14H17N/c1-3-7-11-12-9-5-6-10-14(12)15-13(11)8-4-2/h3-4,7-8,15H,1-2,5-6,9-10H2/b11-7-,13-8+
InChIKeyHABSZLLBDGZVCW-JKNYEHFOSA-N
MW199.30 g/mol
LogP1.83
Rot. Bonds2

About (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole

(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole (PubChem CID 126699053) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole
PubChem CID126699053
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole
SMILESC=C/C=c1/c2c([nH]/c1=C/C=C)CCCC2
InChIInChI=1S/C14H17N/c1-3-7-11-12-9-5-6-10-14(12)15-13(11)8-4-2/h3-4,7-8,15H,1-2,5-6,9-10H2/b11-7-,13-8+
InChIKeyHABSZLLBDGZVCW-JKNYEHFOSA-N
XLogP1.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole (CID 126699053) is (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole is C=C/C=c1/c2c([nH]/c1=C/C=C)CCCC2.
What is the InChIKey of (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is HABSZLLBDGZVCW-JKNYEHFOSA-N. The full InChI is InChI=1S/C14H17N/c1-3-7-11-12-9-5-6-10-14(12)15-13(11)8-4-2/h3-4,7-8,15H,1-2,5-6,9-10H2/b11-7-,13-8+.
What are the key properties of (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole?
(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 199.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 126699053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).