1-(3-methylbutan-2-yl)-2,3-dihydropyrrole

C9H17N — CID 89064702

IUPAC1-(3-methylbutan-2-yl)-2,3-dihydropyrrole
SMILESCC(C)C(C)N1C=CCC1
InChIInChI=1S/C9H17N/c1-8(2)9(3)10-6-4-5-7-10/h4,6,8-9H,5,7H2,1-3H3
InChIKeyYJTGXYJJKACQDG-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole

1-(3-methylbutan-2-yl)-2,3-dihydropyrrole (PubChem CID 89064702) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-2,3-dihydropyrrole
PubChem CID89064702
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(3-methylbutan-2-yl)-2,3-dihydropyrrole
SMILESCC(C)C(C)N1C=CCC1
InChIInChI=1S/C9H17N/c1-8(2)9(3)10-6-4-5-7-10/h4,6,8-9H,5,7H2,1-3H3
InChIKeyYJTGXYJJKACQDG-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole?
The IUPAC name of 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole (CID 89064702) is 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole is CC(C)C(C)N1C=CCC1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole?
The InChIKey is YJTGXYJJKACQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)9(3)10-6-4-5-7-10/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole?
1-(3-methylbutan-2-yl)-2,3-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 89064702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).