(4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine

C11H21N — CID 167551929

IUPAC(4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine
SMILESC=C1NC(C)(C)C[C@@]1(C)C(C)C
InChIInChI=1S/C11H21N/c1-8(2)11(6)7-10(4,5)12-9(11)3/h8,12H,3,7H2,1-2,4-6H3/t11-/m0/s1
InChIKeyAVKXBWQDZXBQAA-NSHDSACASA-N
MW167.30 g/mol
LogP2.93
Rot. Bonds1

About (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine

(4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine (PubChem CID 167551929) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine
PubChem CID167551929
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine
SMILESC=C1NC(C)(C)C[C@@]1(C)C(C)C
InChIInChI=1S/C11H21N/c1-8(2)11(6)7-10(4,5)12-9(11)3/h8,12H,3,7H2,1-2,4-6H3/t11-/m0/s1
InChIKeyAVKXBWQDZXBQAA-NSHDSACASA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine?
The IUPAC name of (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine (CID 167551929) is (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine.
What is the SMILES notation for (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine?
The canonical SMILES for (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine is C=C1NC(C)(C)C[C@@]1(C)C(C)C.
What is the InChIKey of (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine?
The InChIKey is AVKXBWQDZXBQAA-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)11(6)7-10(4,5)12-9(11)3/h8,12H,3,7H2,1-2,4-6H3/t11-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine?
(4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-5-methylidene-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 167551929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).