(4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole

C11H19N — CID 123310097

IUPAC(4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole
SMILESCC/C=C1/CCN=C1C(C)CC
InChIInChI=1S/C11H19N/c1-4-6-10-7-8-12-11(10)9(3)5-2/h6,9H,4-5,7-8H2,1-3H3/b10-6-
InChIKeyFOTYITUVUGBRQY-POHAHGRESA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds3

About (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole

(4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole (PubChem CID 123310097) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole
PubChem CID123310097
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole
SMILESCC/C=C1/CCN=C1C(C)CC
InChIInChI=1S/C11H19N/c1-4-6-10-7-8-12-11(10)9(3)5-2/h6,9H,4-5,7-8H2,1-3H3/b10-6-
InChIKeyFOTYITUVUGBRQY-POHAHGRESA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
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Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
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3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
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5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole?
The IUPAC name of (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole (CID 123310097) is (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole is CC/C=C1/CCN=C1C(C)CC.
What is the InChIKey of (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole?
The InChIKey is FOTYITUVUGBRQY-POHAHGRESA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-10-7-8-12-11(10)9(3)5-2/h6,9H,4-5,7-8H2,1-3H3/b10-6-.
What are the key properties of (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole?
(4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-butan-2-yl-4-propylidene-2,3-dihydropyrrole is sourced from PubChem (CID 123310097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).