(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole

C9H17N — CID 67522535

IUPAC(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole
SMILESCCC(C)[C@@H]1CC=CN1C
InChIInChI=1S/C9H17N/c1-4-8(2)9-6-5-7-10(9)3/h5,7-9H,4,6H2,1-3H3/t8?,9-/m0/s1
InChIKeyMYBNIVFBABNXGP-GKAPJAKFSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds2

About (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole

(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole (PubChem CID 67522535) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole
PubChem CID67522535
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole
SMILESCCC(C)[C@@H]1CC=CN1C
InChIInChI=1S/C9H17N/c1-4-8(2)9-6-5-7-10(9)3/h5,7-9H,4,6H2,1-3H3/t8?,9-/m0/s1
InChIKeyMYBNIVFBABNXGP-GKAPJAKFSA-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 (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole?
The IUPAC name of (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole (CID 67522535) is (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole is CCC(C)[C@@H]1CC=CN1C.
What is the InChIKey of (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole?
The InChIKey is MYBNIVFBABNXGP-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8(2)9-6-5-7-10(9)3/h5,7-9H,4,6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole?
(2S)-2-butan-2-yl-1-methyl-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 (2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 67522535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).