ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole

C17H23N — CID 91272186

IUPACethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
SMILESC=C/C=C1\C(=C)CC2CC3=CC=CCC3N12.CC
InChIInChI=1S/C15H17N.C2H6/c1-3-6-14-11(2)9-13-10-12-7-4-5-8-15(12)16(13)14;1-2/h3-7,13,15H,1-2,8-10H2;1-2H3/b14-6+;
InChIKeyMRGFWFAAYFKXPJ-JSSTZBRYSA-N
MW241.38 g/mol
LogP4.37
Rot. Bonds1

About ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole

ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole (PubChem CID 91272186) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Nameethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
PubChem CID91272186
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Nameethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
SMILESC=C/C=C1\C(=C)CC2CC3=CC=CCC3N12.CC
InChIInChI=1S/C15H17N.C2H6/c1-3-6-14-11(2)9-13-10-12-7-4-5-8-15(12)16(13)14;1-2/h3-7,13,15H,1-2,8-10H2;1-2H3/b14-6+;
InChIKeyMRGFWFAAYFKXPJ-JSSTZBRYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-7-fluoro-3-(4-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-5-methylidene-6-pent-1-en-2-yl-1,2,3,8-tetrahydropyrrolizine
CID 137484287
lithium 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 21277768
(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine
CID 59221833
2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole
CID 59221890
(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole
CID 59221899
(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine
CID 88591713
(6Z)-6-[(Z)-but-2-enylidene]-1,2,3,5,7,8-hexahydropyrrolizine;ethane
CID 91083353
2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane
CID 91374545
2-methylidene-4-[(Z)-prop-1-enyl]-1,3,8,8a-tetrahydropyrrolo[1,2-a]indole
CID 118187093
2-Cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine
CID 138554567
ethane;5-methyl-7,8,9,9b-tetrahydro-1H-cyclopenta[g]indolizine
CID 143096880
5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine
CID 146336106

Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
The IUPAC name of ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole (CID 91272186) is ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole.
What is the SMILES notation for ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
The canonical SMILES for ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole is C=C/C=C1\C(=C)CC2CC3=CC=CCC3N12.CC.
What is the InChIKey of ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
The InChIKey is MRGFWFAAYFKXPJ-JSSTZBRYSA-N. The full InChI is InChI=1S/C15H17N.C2H6/c1-3-6-14-11(2)9-13-10-12-7-4-5-8-15(12)16(13)14;1-2/h3-7,13,15H,1-2,8-10H2;1-2H3/b14-6+;.
What are the key properties of ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole?
ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole has a molecular weight of 241.38 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-2-methylidene-1-prop-2-enylidene-3a,4,8,8a-tetrahydro-3H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 91272186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).