5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole

C15H27N — CID 137453466

IUPAC5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole
SMILESC=C(CCC)C(C(C)C)C1CN=C(CC)C1
InChIInChI=1S/C15H27N/c1-6-8-12(5)15(11(3)4)13-9-14(7-2)16-10-13/h11,13,15H,5-10H2,1-4H3
InChIKeyVIUHQQRLULVEIP-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.49
Rot. Bonds6

About 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole

5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 137453466) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole
PubChem CID137453466
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole
SMILESC=C(CCC)C(C(C)C)C1CN=C(CC)C1
InChIInChI=1S/C15H27N/c1-6-8-12(5)15(11(3)4)13-9-14(7-2)16-10-13/h11,13,15H,5-10H2,1-4H3
InChIKeyVIUHQQRLULVEIP-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole (CID 137453466) is 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole is C=C(CCC)C(C(C)C)C1CN=C(CC)C1.
What is the InChIKey of 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is VIUHQQRLULVEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-8-12(5)15(11(3)4)13-9-14(7-2)16-10-13/h11,13,15H,5-10H2,1-4H3.
What are the key properties of 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole?
5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methyl-4-methylideneheptan-3-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 137453466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).