(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole

C9H15N — CID 91393204

IUPAC(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
SMILESC/C=C1\C(C)=NCC1(C)C
InChIInChI=1S/C9H15N/c1-5-8-7(2)10-6-9(8,3)4/h5H,6H2,1-4H3/b8-5+
InChIKeySQEREYDXAXHEFD-VMPITWQZSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole

(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole (PubChem CID 91393204) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole.

Molecular Properties

Compound Name(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
PubChem CID91393204
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
SMILESC/C=C1\C(C)=NCC1(C)C
InChIInChI=1S/C9H15N/c1-5-8-7(2)10-6-9(8,3)4/h5H,6H2,1-4H3/b8-5+
InChIKeySQEREYDXAXHEFD-VMPITWQZSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 15581274
5-[(E)-but-1-en-3-ynyl]-3,3-dimethyl-2,4-dihydropyrrole
CID 5323988
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
3,5-ditert-butyl-2H-pyrrole
CID 58139020
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510
4-tert-butyl-5-methyl-2H-pyrrole
CID 58263540
4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748
3-tert-butyl-5-methyl-2H-pyrrole
CID 58263876
4,5-ditert-butyl-2H-pyrrole
CID 59746509
(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
CID 90739607
6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole
CID 90855606
5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
CID 91088690

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole?
The IUPAC name of (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole (CID 91393204) is (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole.
What is the SMILES notation for (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole?
The canonical SMILES for (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole is C/C=C1\C(C)=NCC1(C)C.
What is the InChIKey of (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole?
The InChIKey is SQEREYDXAXHEFD-VMPITWQZSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8-7(2)10-6-9(8,3)4/h5H,6H2,1-4H3/b8-5+.
What are the key properties of (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole?
(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole is sourced from PubChem (CID 91393204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).