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Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C24H43N3O — CID 143037766

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC/C=c1\c(=C/CC)c(C(CN2CCNCC2)C2(O)CCCCC2)cn1C.CC
InChIInChI=1S/C22H37N3O.C2H6/c1-4-9-18-19(16-24(3)21(18)5-2)20(17-25-14-12-23-13-15-25)22(26)10-7-6-8-11-22;1-2/h5,9,16,20,23,26H,4,6-8,10-15,17H2,1-3H3;1-2H3/b18-9-,21-5+;
InChIKeyPWQZYFAJNVSRTJ-LPURNSTKSA-N
MW389.63 g/mol
LogP2.73
Rot. Bonds5

About Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143037766) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound NameEthane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143037766
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Nameethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC/C=c1\c(=C/CC)c(C(CN2CCNCC2)C2(O)CCCCC2)cn1C.CC
InChIInChI=1S/C22H37N3O.C2H6/c1-4-9-18-19(16-24(3)21(18)5-2)20(17-25-14-12-23-13-15-25)22(26)10-7-6-8-11-22;1-2/h5,9,16,20,23,26H,4,6-8,10-15,17H2,1-3H3;1-2H3/b18-9-,21-5+;
InChIKeyPWQZYFAJNVSRTJ-LPURNSTKSA-N
XLogP2.73
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143037766) is ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is C/C=c1\c(=C/CC)c(C(CN2CCNCC2)C2(O)CCCCC2)cn1C.CC.
What is the InChIKey of Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is PWQZYFAJNVSRTJ-LPURNSTKSA-N. The full InChI is InChI=1S/C22H37N3O.C2H6/c1-4-9-18-19(16-24(3)21(18)5-2)20(17-25-14-12-23-13-15-25)22(26)10-7-6-8-11-22;1-2/h5,9,16,20,23,26H,4,6-8,10-15,17H2,1-3H3;1-2H3/b18-9-,21-5+;.
What are the key properties of Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 389.63 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143037766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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