(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole

C10H19N — CID 59610355

IUPAC(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole
SMILESCC(C)[C@@H]1CC=CN1C(C)C
InChIInChI=1S/C10H19N/c1-8(2)10-6-5-7-11(10)9(3)4/h5,7-10H,6H2,1-4H3/t10-/m0/s1
InChIKeyVKCWVVQWRRJQMY-JTQLQIEISA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds2

About (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole

(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole (PubChem CID 59610355) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole
PubChem CID59610355
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole
SMILESCC(C)[C@@H]1CC=CN1C(C)C
InChIInChI=1S/C10H19N/c1-8(2)10-6-5-7-11(10)9(3)4/h5,7-10H,6H2,1-4H3/t10-/m0/s1
InChIKeyVKCWVVQWRRJQMY-JTQLQIEISA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole?
The IUPAC name of (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole (CID 59610355) is (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole.
What is the SMILES notation for (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole?
The canonical SMILES for (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole is CC(C)[C@@H]1CC=CN1C(C)C.
What is the InChIKey of (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole?
The InChIKey is VKCWVVQWRRJQMY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10-6-5-7-11(10)9(3)4/h5,7-10H,6H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole?
(2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-di(propan-2-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 59610355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).