4-tert-butyl-2-methylidene-1,3-dihydropyrrole

C9H15N — CID 59151472

IUPAC4-tert-butyl-2-methylidene-1,3-dihydropyrrole
SMILESC=C1CC(C(C)(C)C)=CN1
InChIInChI=1S/C9H15N/c1-7-5-8(6-10-7)9(2,3)4/h6,10H,1,5H2,2-4H3
InChIKeySDYHKCFTPMWKHW-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.42
Rot. Bonds

About 4-tert-butyl-2-methylidene-1,3-dihydropyrrole

4-tert-butyl-2-methylidene-1,3-dihydropyrrole (PubChem CID 59151472) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-tert-butyl-2-methylidene-1,3-dihydropyrrole.

Molecular Properties

Compound Name4-tert-butyl-2-methylidene-1,3-dihydropyrrole
PubChem CID59151472
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-tert-butyl-2-methylidene-1,3-dihydropyrrole
SMILESC=C1CC(C(C)(C)C)=CN1
InChIInChI=1S/C9H15N/c1-7-5-8(6-10-7)9(2,3)4/h6,10H,1,5H2,2-4H3
InChIKeySDYHKCFTPMWKHW-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylidene-1,3-dihydropyrrole?
The IUPAC name of 4-tert-butyl-2-methylidene-1,3-dihydropyrrole (CID 59151472) is 4-tert-butyl-2-methylidene-1,3-dihydropyrrole.
What is the SMILES notation for 4-tert-butyl-2-methylidene-1,3-dihydropyrrole?
The canonical SMILES for 4-tert-butyl-2-methylidene-1,3-dihydropyrrole is C=C1CC(C(C)(C)C)=CN1.
What is the InChIKey of 4-tert-butyl-2-methylidene-1,3-dihydropyrrole?
The InChIKey is SDYHKCFTPMWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-8(6-10-7)9(2,3)4/h6,10H,1,5H2,2-4H3.
What are the key properties of 4-tert-butyl-2-methylidene-1,3-dihydropyrrole?
4-tert-butyl-2-methylidene-1,3-dihydropyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylidene-1,3-dihydropyrrole is sourced from PubChem (CID 59151472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).