(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole

C11H19N — CID 90739607

IUPAC(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
SMILESCC/C=C1\C(CC)=NCC1(C)C
InChIInChI=1S/C11H19N/c1-5-7-9-10(6-2)12-8-11(9,3)4/h7H,5-6,8H2,1-4H3/b9-7+
InChIKeyLFXGAFRZUGEVSN-VQHVLOKHSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole

(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole (PubChem CID 90739607) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole.

Molecular Properties

Compound Name(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
PubChem CID90739607
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
SMILESCC/C=C1\C(CC)=NCC1(C)C
InChIInChI=1S/C11H19N/c1-5-7-9-10(6-2)12-8-11(9,3)4/h7H,5-6,8H2,1-4H3/b9-7+
InChIKeyLFXGAFRZUGEVSN-VQHVLOKHSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
(4E)-2,2,5-trimethyl-4-(1-methylpropylidene)-3H-pyrrole
CID 3003771
(4Z)-4-butan-2-ylidene-2,2,5-trimethyl-3H-pyrrole
CID 5356326
5-[(E)-but-1-en-3-ynyl]-3,3-dimethyl-2,4-dihydropyrrole
CID 5323988
(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
CID 23252301
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
5-ethenyl-2,2-dimethyl-4-propan-2-ylidene-3H-pyrrole
CID 12464497
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-methyl-3-(2,3,3-trimethylbutyl)-2H-pyrrole
CID 58051750
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
3,5-ditert-butyl-2H-pyrrole
CID 58139020

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole?
The IUPAC name of (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole (CID 90739607) is (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole.
What is the SMILES notation for (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole?
The canonical SMILES for (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole is CC/C=C1\C(CC)=NCC1(C)C.
What is the InChIKey of (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole?
The InChIKey is LFXGAFRZUGEVSN-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-9-10(6-2)12-8-11(9,3)4/h7H,5-6,8H2,1-4H3/b9-7+.
What are the key properties of (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole?
(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole is sourced from PubChem (CID 90739607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).