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

C12H23N — CID 67991428

IUPAC(2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)C(C)[C@@H]1CC=CN1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)11(5)12-7-6-8-13(12)10(3)4/h6,8-12H,7H2,1-5H3/t11?,12-/m0/s1
InChIKeyVEKJCIBJRLEHLU-KIYNQFGBSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds3

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

(2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole (PubChem CID 67991428) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole
PubChem CID67991428
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)C(C)[C@@H]1CC=CN1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)11(5)12-7-6-8-13(12)10(3)4/h6,8-12H,7H2,1-5H3/t11?,12-/m0/s1
InChIKeyVEKJCIBJRLEHLU-KIYNQFGBSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole (CID 67991428) is (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole is CC(C)C(C)[C@@H]1CC=CN1C(C)C.
What is the InChIKey of (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is VEKJCIBJRLEHLU-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11(5)12-7-6-8-13(12)10(3)4/h6,8-12H,7H2,1-5H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole?
(2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 181.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutan-2-yl)-1-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 67991428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).