2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole

C10H15N — CID 59879718

IUPAC2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole
SMILESCC/C=C\C1=NC(C)=C(C)C1
InChIInChI=1S/C10H15N/c1-4-5-6-10-7-8(2)9(3)11-10/h5-6H,4,7H2,1-3H3/b6-5-
InChIKeyFGLCYQYUCAIROR-WAYWQWQTSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds2

About 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole

2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole (PubChem CID 59879718) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole
PubChem CID59879718
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole
SMILESCC/C=C\C1=NC(C)=C(C)C1
InChIInChI=1S/C10H15N/c1-4-5-6-10-7-8(2)9(3)11-10/h5-6H,4,7H2,1-3H3/b6-5-
InChIKeyFGLCYQYUCAIROR-WAYWQWQTSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90829219
2,4,5-trimethyl-3H-pyrrole
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CID 17855694
2-methyl-5H-indole
CID 18732311
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
5-tert-butyl-2-ethenyl-3H-pyrrole
CID 58263442
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147
N-methylcyclopent-2-en-1-imine
CID 58544010
2,3-dimethyl-5,7-bis(prop-1-enyl)-6H-1,4-diazepine
CID 59047620
5-ethyl-2-ethyl-3H-pyrrole;tungsten
CID 59834186
2-ethyl-5-methyl-3H-pyrrole
CID 59914163
2,4-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68249327

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole?
The IUPAC name of 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole (CID 59879718) is 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole?
The canonical SMILES for 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole is CC/C=C\C1=NC(C)=C(C)C1.
What is the InChIKey of 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole?
The InChIKey is FGLCYQYUCAIROR-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-6-10-7-8(2)9(3)11-10/h5-6H,4,7H2,1-3H3/b6-5-.
What are the key properties of 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole?
2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 59879718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).