3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole

C9H15N — CID 141227467

IUPAC3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
SMILESC=C(C)C1=NCC(C)(C)C1
InChIInChI=1S/C9H15N/c1-7(2)8-5-9(3,4)6-10-8/h1,5-6H2,2-4H3
InChIKeyFZZZESAYKVSSBH-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole

3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole (PubChem CID 141227467) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole.

Molecular Properties

Compound Name3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
PubChem CID141227467
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
SMILESC=C(C)C1=NCC(C)(C)C1
InChIInChI=1S/C9H15N/c1-7(2)8-5-9(3,4)6-10-8/h1,5-6H2,2-4H3
InChIKeyFZZZESAYKVSSBH-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-methyl-3H-pyrrole
CID 20737593
5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 21137936
2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
CID 89034784
(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
CID 90739607
5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
CID 91088690
2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
CID 91113963
4-tert-butyl-2-ethenyl-3H-pyrrole
CID 118180409
3,3,5-trimethyl-4-methylidene-2H-pyrrole
CID 123236228
N,5,5-trimethyl-4-methylidenehexan-3-imine
CID 123488530
4-(3,3-dimethylbutyl)-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 126595087
5-Tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
CID 129288136
N,2,2,5-tetramethylhex-5-en-3-imine
CID 132227592

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole?
The IUPAC name of 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole (CID 141227467) is 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole.
What is the SMILES notation for 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole?
The canonical SMILES for 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole is C=C(C)C1=NCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole?
The InChIKey is FZZZESAYKVSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)8-5-9(3,4)6-10-8/h1,5-6H2,2-4H3.
What are the key properties of 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole?
3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole is sourced from PubChem (CID 141227467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).