5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

C8H13N — CID 102498818

IUPAC5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1CCC(C)=N1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h8H,1,4-5H2,2-3H3
InChIKeyMIFGXQSTMOUBSR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 102498818) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID102498818
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1CCC(C)=N1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h8H,1,4-5H2,2-3H3
InChIKeyMIFGXQSTMOUBSR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 135085650
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(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 134862195
5-(3-methylbut-3-enyl)-3,4-dihydro-2H-pyrrole
CID 21677162
2,5-Dimethyl-3-methylidene-2,4-dihydropyrrole
CID 20663941
5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 21137936
5-Methyl-3-methylidene-2,4-dihydropyrrole
CID 59659995
6-methyl-3-methylidene-4,5-dihydro-2H-pyridine
CID 91101587
4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 91316764
6-methyl-4-methylidene-3,5-dihydro-2H-pyridine
CID 123247329
N-(3-methylbut-3-en-2-yl)hexan-2-imine
CID 123525970
N-(3-methylideneoctyl)pentan-2-imine
CID 123823378

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (CID 102498818) is 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is C=C(C)C1CCC(C)=N1.
What is the InChIKey of 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is MIFGXQSTMOUBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h8H,1,4-5H2,2-3H3.
What are the key properties of 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102498818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).