(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole

C12H19N — CID 123329021

IUPAC(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole
SMILESCC=C/C=C1\C(C)=NCC1C(C)C
InChIInChI=1S/C12H19N/c1-5-6-7-11-10(4)13-8-12(11)9(2)3/h5-7,9,12H,8H2,1-4H3/b6-5?,11-7+
InChIKeyWYPRBZGIEKZHJE-OIGRYENSSA-N
MW177.29 g/mol
LogP3.24
Rot. Bonds2

About (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole

(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole (PubChem CID 123329021) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole
PubChem CID123329021
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole
SMILESCC=C/C=C1\C(C)=NCC1C(C)C
InChIInChI=1S/C12H19N/c1-5-6-7-11-10(4)13-8-12(11)9(2)3/h5-7,9,12H,8H2,1-4H3/b6-5?,11-7+
InChIKeyWYPRBZGIEKZHJE-OIGRYENSSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole (CID 123329021) is (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole is CC=C/C=C1\C(C)=NCC1C(C)C.
What is the InChIKey of (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is WYPRBZGIEKZHJE-OIGRYENSSA-N. The full InChI is InChI=1S/C12H19N/c1-5-6-7-11-10(4)13-8-12(11)9(2)3/h5-7,9,12H,8H2,1-4H3/b6-5?,11-7+.
What are the key properties of (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole?
(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 177.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 123329021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).