5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole

C8H13N — CID 141258836

IUPAC5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole
SMILESC=CC1=NCC(C)(C)C1
InChIInChI=1S/C8H13N/c1-4-7-5-8(2,3)6-9-7/h4H,1,5-6H2,2-3H3
InChIKeyHPVZDSLCJOJECR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

About 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole

5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole (PubChem CID 141258836) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole
PubChem CID141258836
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole
SMILESC=CC1=NCC(C)(C)C1
InChIInChI=1S/C8H13N/c1-4-7-5-8(2,3)6-9-7/h4H,1,5-6H2,2-3H3
InChIKeyHPVZDSLCJOJECR-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(E)-but-1-en-3-ynyl]-3,3-dimethyl-2,4-dihydropyrrole
CID 5323988
(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
(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
CID 91393204
3,3,5-trimethyl-4-methylidene-2H-pyrrole
CID 123236228
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
N,4,4-trimethylpent-1-en-3-imine
CID 129033513
5-ethenyl-3-methyl-3,4-dihydro-2H-pyrrole
CID 130389361
3,3-Dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
CID 141227467
N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine
CID 142361554
5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole
CID 170211113

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole?
The IUPAC name of 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole (CID 141258836) is 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole.
What is the SMILES notation for 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole?
The canonical SMILES for 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole is C=CC1=NCC(C)(C)C1.
What is the InChIKey of 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole?
The InChIKey is HPVZDSLCJOJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7-5-8(2,3)6-9-7/h4H,1,5-6H2,2-3H3.
What are the key properties of 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole?
5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,3-dimethyl-2,4-dihydropyrrole is sourced from PubChem (CID 141258836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).