2-butyl-2-methyl-3,4-dihydropyrrole

C9H17N — CID 56617392

IUPAC2-butyl-2-methyl-3,4-dihydropyrrole
SMILESCCCCC1(C)CCC=N1
InChIInChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10-9/h8H,3-7H2,1-2H3
InChIKeyIBZNGRHTGCENQO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.80
Rot. Bonds3

About 2-butyl-2-methyl-3,4-dihydropyrrole

2-butyl-2-methyl-3,4-dihydropyrrole (PubChem CID 56617392) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-butyl-2-methyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-butyl-2-methyl-3,4-dihydropyrrole
PubChem CID56617392
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-butyl-2-methyl-3,4-dihydropyrrole
SMILESCCCCC1(C)CCC=N1
InChIInChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10-9/h8H,3-7H2,1-2H3
InChIKeyIBZNGRHTGCENQO-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 47397
CID 47397
CID 128580
CID 128580
CID 128583
CID 128583
CID 13679715
CID 13679715
CID 14246055
CID 14246055
CID 59047363
CID 59047363
CID 90709369
CID 90709369
CID 134924189
CID 134924189
CID 90658302
CID 90658302
CID 15434209
CID 15434209
CID 12484911
CID 12484911
CID 19901275
CID 19901275

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methyl-3,4-dihydropyrrole?
The IUPAC name of 2-butyl-2-methyl-3,4-dihydropyrrole (CID 56617392) is 2-butyl-2-methyl-3,4-dihydropyrrole.
What is the SMILES notation for 2-butyl-2-methyl-3,4-dihydropyrrole?
The canonical SMILES for 2-butyl-2-methyl-3,4-dihydropyrrole is CCCCC1(C)CCC=N1.
What is the InChIKey of 2-butyl-2-methyl-3,4-dihydropyrrole?
The InChIKey is IBZNGRHTGCENQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-9(2)7-5-8-10-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-butyl-2-methyl-3,4-dihydropyrrole?
2-butyl-2-methyl-3,4-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyl-3,4-dihydropyrrole is sourced from PubChem (CID 56617392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).