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

C9H17N — CID 86038826

IUPAC3,3-dimethyl-5-propyl-2,4-dihydropyrrole
SMILESCCCC1=NCC(C)(C)C1
InChIInChI=1S/C9H17N/c1-4-5-8-6-9(2,3)7-10-8/h4-7H2,1-3H3
InChIKeyHYYAGJBDDYAYAX-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds2

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

3,3-dimethyl-5-propyl-2,4-dihydropyrrole (PubChem CID 86038826) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-5-propyl-2,4-dihydropyrrole.

Molecular Properties

Compound Name3,3-dimethyl-5-propyl-2,4-dihydropyrrole
PubChem CID86038826
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-5-propyl-2,4-dihydropyrrole
SMILESCCCC1=NCC(C)(C)C1
InChIInChI=1S/C9H17N/c1-4-5-8-6-9(2,3)7-10-8/h4-7H2,1-3H3
InChIKeyHYYAGJBDDYAYAX-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propyl-2,4-dihydropyrrole?
The IUPAC name of 3,3-dimethyl-5-propyl-2,4-dihydropyrrole (CID 86038826) is 3,3-dimethyl-5-propyl-2,4-dihydropyrrole.
What is the SMILES notation for 3,3-dimethyl-5-propyl-2,4-dihydropyrrole?
The canonical SMILES for 3,3-dimethyl-5-propyl-2,4-dihydropyrrole is CCCC1=NCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-5-propyl-2,4-dihydropyrrole?
The InChIKey is HYYAGJBDDYAYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-8-6-9(2,3)7-10-8/h4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-propyl-2,4-dihydropyrrole?
3,3-dimethyl-5-propyl-2,4-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propyl-2,4-dihydropyrrole is sourced from PubChem (CID 86038826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).