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

C18H29NO — CID 144683598

IUPAC(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
InChIInChI=1S/C18H29NO/c1-6-17-14(4)18(11-13(2)3)19(15(17)5)12-16-7-9-20-10-8-16/h11,13,16H,4,6-10,12H2,1-3,5H3/b18-11+
InChIKeyDURUBQSEPYTVOY-WOJGMQOQSA-N
MW275.44 g/mol
LogP2.63
Rot. Bonds4

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

(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole (PubChem CID 144683598) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole.

Molecular Properties

Compound Name(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole
PubChem CID144683598
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(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
InChIInChI=1S/C18H29NO/c1-6-17-14(4)18(11-13(2)3)19(15(17)5)12-16-7-9-20-10-8-16/h11,13,16H,4,6-10,12H2,1-3,5H3/b18-11+
InChIKeyDURUBQSEPYTVOY-WOJGMQOQSA-N
XLogP2.63
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.63
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
ethane;(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole
CID 144683597
2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane
CID 156842978
4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 170017802

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
The IUPAC name of (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole (CID 144683598) is (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole.
What is the SMILES notation for (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
The canonical SMILES for (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.
What is the InChIKey of (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
The InChIKey is DURUBQSEPYTVOY-WOJGMQOQSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-17-14(4)18(11-13(2)3)19(15(17)5)12-16-7-9-20-10-8-16/h11,13,16H,4,6-10,12H2,1-3,5H3/b18-11+.
What are the key properties of (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole?
(5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole has a molecular weight of 275.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-2-methyl-4-methylidene-5-(2-methylpropylidene)-1-(oxan-4-ylmethyl)pyrrole is sourced from PubChem (CID 144683598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).