(4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole

C12H21N — CID 90988585

IUPAC(4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole
SMILESC/C=C1/CC(C(C)(C)C)N=C1CC
InChIInChI=1S/C12H21N/c1-6-9-8-11(12(3,4)5)13-10(9)7-2/h6,11H,7-8H2,1-5H3/b9-6-
InChIKeyMMGNPUFYLMASQG-TWGQIWQCSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds1

About (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole

(4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole (PubChem CID 90988585) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole
PubChem CID90988585
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole
SMILESC/C=C1/CC(C(C)(C)C)N=C1CC
InChIInChI=1S/C12H21N/c1-6-9-8-11(12(3,4)5)13-10(9)7-2/h6,11H,7-8H2,1-5H3/b9-6-
InChIKeyMMGNPUFYLMASQG-TWGQIWQCSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
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5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
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(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
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2,3,3-trimethyl-5-propan-2-yl-4-propan-2-ylidene-2H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole?
The IUPAC name of (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole (CID 90988585) is (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole is C/C=C1/CC(C(C)(C)C)N=C1CC.
What is the InChIKey of (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole?
The InChIKey is MMGNPUFYLMASQG-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H21N/c1-6-9-8-11(12(3,4)5)13-10(9)7-2/h6,11H,7-8H2,1-5H3/b9-6-.
What are the key properties of (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole?
(4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole has a molecular weight of 179.31 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-tert-butyl-5-ethyl-4-ethylidene-2,3-dihydropyrrole is sourced from PubChem (CID 90988585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).