3-butylidene-2,4-dihydropyrrole

C8H13N — CID 91001914

IUPAC3-butylidene-2,4-dihydropyrrole
SMILESCCCC=C1CC=NC1
InChIInChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h4,6H,2-3,5,7H2,1H3
InChIKeyJEWUXPCWHINNBG-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 3-butylidene-2,4-dihydropyrrole

3-butylidene-2,4-dihydropyrrole (PubChem CID 91001914) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-butylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name3-butylidene-2,4-dihydropyrrole
PubChem CID91001914
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-butylidene-2,4-dihydropyrrole
SMILESCCCC=C1CC=NC1
InChIInChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h4,6H,2-3,5,7H2,1H3
InChIKeyJEWUXPCWHINNBG-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
4-Methyl-2,5-dihydropyridine
CID 56986892
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
4-Methyl-2,5-dihydropyridin-2-ylium
CID 57104481
3a,6-dihydro-1H-isoindole
CID 57205268
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
3-Methyl-2,5-dihydropyridine
CID 57230847

Frequently Asked Questions

What is the IUPAC name of 3-butylidene-2,4-dihydropyrrole?
The IUPAC name of 3-butylidene-2,4-dihydropyrrole (CID 91001914) is 3-butylidene-2,4-dihydropyrrole.
What is the SMILES notation for 3-butylidene-2,4-dihydropyrrole?
The canonical SMILES for 3-butylidene-2,4-dihydropyrrole is CCCC=C1CC=NC1.
What is the InChIKey of 3-butylidene-2,4-dihydropyrrole?
The InChIKey is JEWUXPCWHINNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 3-butylidene-2,4-dihydropyrrole?
3-butylidene-2,4-dihydropyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidene-2,4-dihydropyrrole is sourced from PubChem (CID 91001914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).