(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane

C17H29N — CID 145376843

IUPAC(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane
SMILESC/C=c1\c(=C/C)[nH]c2ccccc12.CC.CCC.[H][H]
InChIInChI=1S/C12H13N.C3H8.C2H6.H2/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2;1-3-2;1-2;/h3-8,13H,1-2H3;3H2,1-2H3;1-2H3;1H/b9-3-,11-4+;;;
InChIKeyDCDNGUIKLRFBOF-POFQKNQPSA-N
MW247.43 g/mol
LogP4.46
Rot. Bonds

About (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane

(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane (PubChem CID 145376843) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane
PubChem CID145376843
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane
SMILESC/C=c1\c(=C/C)[nH]c2ccccc12.CC.CCC.[H][H]
InChIInChI=1S/C12H13N.C3H8.C2H6.H2/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2;1-3-2;1-2;/h3-8,13H,1-2H3;3H2,1-2H3;1-2H3;1H/b9-3-,11-4+;;;
InChIKeyDCDNGUIKLRFBOF-POFQKNQPSA-N
XLogP4.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylidene-3-methylidene-1H-indole
CID 131846475
bis(9H-carbazole);propane
CID 90987002
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
CID 145019261
9H-carbazole;propane-1,1-diol
CID 19846299
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
(2E,3Z)-2,3-di(ethylidene)-1-benzofuran;ethane
CID 142109004
9H-carbazole
CID 66668984
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole
CID 144858748

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane (CID 145376843) is (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane is C/C=c1\c(=C/C)[nH]c2ccccc12.CC.CCC.[H][H].
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane?
The InChIKey is DCDNGUIKLRFBOF-POFQKNQPSA-N. The full InChI is InChI=1S/C12H13N.C3H8.C2H6.H2/c1-3-9-10-7-5-6-8-12(10)13-11(9)4-2;1-3-2;1-2;/h3-8,13H,1-2H3;3H2,1-2H3;1-2H3;1H/b9-3-,11-4+;;;.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane?
(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane has a molecular weight of 247.43 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane is sourced from PubChem (CID 145376843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).