ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole

C22H41NO — CID 144683597

IUPACethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole
SMILESC=c1c(CC)c(C)n(CC2CCOCC2)/c1=C/C(C)C.CC.CC
InChIInChI=1S/C18H29NO.2C2H6/c1-6-17-14(4)18(11-13(2)3)19(15(17)5)12-16-7-9-20-10-8-16;2*1-2/h11,13,16H,4,6-10,12H2,1-3,5H3;2*1-2H3/b18-11+;;
InChIKeyRNZNPNKUGKEBAK-UMVVUDSKSA-N
MW335.58 g/mol
LogP4.68
Rot. Bonds4

About ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole

ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole (PubChem CID 144683597) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole.

Molecular Properties

Compound Nameethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole
PubChem CID144683597
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Nameethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole
SMILESC=c1c(CC)c(C)n(CC2CCOCC2)/c1=C/C(C)C.CC.CC
InChIInChI=1S/C18H29NO.2C2H6/c1-6-17-14(4)18(11-13(2)3)19(15(17)5)12-16-7-9-20-10-8-16;2*1-2/h11,13,16H,4,6-10,12H2,1-3,5H3;2*1-2H3/b18-11+;;
InChIKeyRNZNPNKUGKEBAK-UMVVUDSKSA-N
XLogP4.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Tert-butyl-2,3-di(ethylidene)-1-(oxan-3-ylmethyl)pyrrole
CID 91048035
6-[(E)-hex-4-enyl]-1-(oxan-4-ylmethyl)-2H-pyridine
CID 117736762
(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole
CID 144683598

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
The IUPAC name of ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole (CID 144683597) is ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole.
What is the SMILES notation for ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
The canonical SMILES for ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole is C=c1c(CC)c(C)n(CC2CCOCC2)/c1=C/C(C)C.CC.CC.
What is the InChIKey of ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
The InChIKey is RNZNPNKUGKEBAK-UMVVUDSKSA-N. The full InChI is InChI=1S/C18H29NO.2C2H6/c1-6-17-14(4)18(11-13(2)3)19(15(17)5)12-16-7-9-20-10-8-16;2*1-2/h11,13,16H,4,6-10,12H2,1-3,5H3;2*1-2H3/b18-11+;;.
What are the key properties of ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole has a molecular weight of 335.58 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole is sourced from PubChem (CID 144683597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).