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

C18H33N — CID 145484469

IUPACethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole
SMILESC=C/C=c1/[nH]c(CC)c(CCC)/c1=C/C.CC.CC
InChIInChI=1S/C14H21N.2C2H6/c1-5-9-12-11(7-3)14(10-6-2)15-13(12)8-4;2*1-2/h6-7,10,15H,2,5,8-9H2,1,3-4H3;2*1-2H3/b11-7-,14-10+;;
InChIKeyMAMGFGHHLRQIKC-NLSVEKMRSA-N
MW263.47 g/mol
LogP4.35
Rot. Bonds4

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

ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole (PubChem CID 145484469) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole.

Molecular Properties

Compound Nameethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole
PubChem CID145484469
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole
SMILESC=C/C=c1/[nH]c(CC)c(CCC)/c1=C/C.CC.CC
InChIInChI=1S/C14H21N.2C2H6/c1-5-9-12-11(7-3)14(10-6-2)15-13(12)8-4;2*1-2/h6-7,10,15H,2,5,8-9H2,1,3-4H3;2*1-2H3/b11-7-,14-10+;;
InChIKeyMAMGFGHHLRQIKC-NLSVEKMRSA-N
XLogP4.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
CID 142460419
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane
CID 176565329
2-ethyl-5-iodo-6-methyl-3-propyl-1H-pyridin-4-one
CID 129299428
(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
2-ethenyl-5-ethyl-3-methyl-4-propyl-1,2-dihydroimidazole
CID 142388675
(6E,7E)-2,3-bis(ethenyl)-6-ethylidene-7-prop-2-enylidene-1,5-dihydro-1,5-naphthyridine-4,8-dione;ethane
CID 143447263
(2E,3Z)-2,3-bis(prop-2-enylidene)-4,5,6,7-tetrahydro-1H-indole
CID 126699053
4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde
CID 44718413
ethane;(2E,3Z)-3-ethylidene-2-prop-2-enylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole
CID 144679658
1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol
CID 129095035
butane;but-1-ene;ethane;methanamine
CID 145230806

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole?
The IUPAC name of ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole (CID 145484469) is ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole.
What is the SMILES notation for ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole?
The canonical SMILES for ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole is C=C/C=c1/[nH]c(CC)c(CCC)/c1=C/C.CC.CC.
What is the InChIKey of ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole?
The InChIKey is MAMGFGHHLRQIKC-NLSVEKMRSA-N. The full InChI is InChI=1S/C14H21N.2C2H6/c1-5-9-12-11(7-3)14(10-6-2)15-13(12)8-4;2*1-2/h6-7,10,15H,2,5,8-9H2,1,3-4H3;2*1-2H3/b11-7-,14-10+;;.
What are the key properties of ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole?
ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole has a molecular weight of 263.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole is sourced from PubChem (CID 145484469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).