ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole

C13H21N — CID 142460419

IUPACethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]c(C)c(C)/c1=C/C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-7-11-10(6-2)8(3)9(4)12-11;1-2/h5-7,12H,1H2,2-4H3;1-2H3/b10-6-,11-7+;
InChIKeyCGAQOZICRBSREJ-MGEBMGQVSA-N
MW191.32 g/mol
LogP2.42
Rot. Bonds1

About ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole

ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole (PubChem CID 142460419) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Nameethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
PubChem CID142460419
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]c(C)c(C)/c1=C/C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-7-11-10(6-2)8(3)9(4)12-11;1-2/h5-7,12H,1H2,2-4H3;1-2H3/b10-6-,11-7+;
InChIKeyCGAQOZICRBSREJ-MGEBMGQVSA-N
XLogP2.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole
CID 162362030
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole
CID 145484469
ethane;3-ethenyl-4-[(4Z,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1H-pyrrol-2-yl]-7-methyl-7H-cyclohepta[c]pyran-1-one
CID 144886900
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
CID 167284347
ethane;2,3,4,5-tetramethyl-1H-pyrrole
CID 91515820
(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole
CID 142103402
(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 164923952
(6E,7E)-2,3-bis(ethenyl)-6-ethylidene-7-prop-2-enylidene-1,5-dihydro-1,5-naphthyridine-4,8-dione;ethane
CID 143447263
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
CID 142823520
ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one
CID 143080732
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 176958582

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole?
The IUPAC name of ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole (CID 142460419) is ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole is C=C/C=c1/[nH]c(C)c(C)/c1=C/C.CC.
What is the InChIKey of ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole?
The InChIKey is CGAQOZICRBSREJ-MGEBMGQVSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-5-7-11-10(6-2)8(3)9(4)12-11;1-2/h5-7,12H,1H2,2-4H3;1-2H3/b10-6-,11-7+;.
What are the key properties of ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole?
ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole has a molecular weight of 191.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 142460419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).