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

C12H21N — CID 123741804

IUPAC(4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole
SMILESCCC/C=C1/CCN=C1C(C)CC
InChIInChI=1S/C12H21N/c1-4-6-7-11-8-9-13-12(11)10(3)5-2/h7,10H,4-6,8-9H2,1-3H3/b11-7-
InChIKeyMFXIXNNMNBJKLS-XFFZJAGNSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds4

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

(4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole (PubChem CID 123741804) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole
PubChem CID123741804
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole
SMILESCCC/C=C1/CCN=C1C(C)CC
InChIInChI=1S/C12H21N/c1-4-6-7-11-8-9-13-12(11)10(3)5-2/h7,10H,4-6,8-9H2,1-3H3/b11-7-
InChIKeyMFXIXNNMNBJKLS-XFFZJAGNSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Lanopylin A2
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole?
The IUPAC name of (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole (CID 123741804) is (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole is CCC/C=C1/CCN=C1C(C)CC.
What is the InChIKey of (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole?
The InChIKey is MFXIXNNMNBJKLS-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-7-11-8-9-13-12(11)10(3)5-2/h7,10H,4-6,8-9H2,1-3H3/b11-7-.
What are the key properties of (4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole?
(4Z)-5-butan-2-yl-4-butylidene-2,3-dihydropyrrole has a molecular weight of 179.31 g/mol, XLogP of 3.60, 4 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-butylidene-2,3-dihydropyrrole is sourced from PubChem (CID 123741804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).