ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine

C13H21N — CID 170763545

IUPACethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
SMILESC=C/C=C1/CCN(C)/C1=C/C=C.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-6-10-8-9-12(3)11(10)7-5-2;1-2/h4-7H,1-2,8-9H2,3H3;1-2H3/b10-6-,11-7+;
InChIKeyLHVQAICKAZCCBV-MGEBMGQVSA-N
MW191.32 g/mol
LogP3.53
Rot. Bonds2

About ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine

ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine (PubChem CID 170763545) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine.

Molecular Properties

Compound Nameethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
PubChem CID170763545
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
SMILESC=C/C=C1/CCN(C)/C1=C/C=C.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-6-10-8-9-12(3)11(10)7-5-2;1-2/h4-7H,1-2,8-9H2,3H3;1-2H3/b10-6-,11-7+;
InChIKeyLHVQAICKAZCCBV-MGEBMGQVSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,3Z)-2,3-bis(prop-2-enylidene)pyrrolidine-1-carbothioamide;ethane
CID 145490659
ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one
CID 143577269
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
ethane;1-methyl-2-methylideneazetidine
CID 166532028
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
ethane;(2Z)-N-methyl-2-prop-2-enylidenecyclopentan-1-imine
CID 143214227
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
(3E,4Z)-3,4-bis(prop-2-enylidene)azepane;ethane
CID 143328926
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 143778310

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine?
The IUPAC name of ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine (CID 170763545) is ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine.
What is the SMILES notation for ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine?
The canonical SMILES for ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine is C=C/C=C1/CCN(C)/C1=C/C=C.CC.
What is the InChIKey of ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine?
The InChIKey is LHVQAICKAZCCBV-MGEBMGQVSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-4-6-10-8-9-12(3)11(10)7-5-2;1-2/h4-7H,1-2,8-9H2,3H3;1-2H3/b10-6-,11-7+;.
What are the key properties of ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine?
ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine is sourced from PubChem (CID 170763545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).