(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine

C9H15N — CID 167693917

IUPAC(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine
SMILESC#CN1C[C@@H](C)C1C(C)C
InChIInChI=1S/C9H15N/c1-5-10-6-8(4)9(10)7(2)3/h1,7-9H,6H2,2-4H3/t8-,9?/m1/s1
InChIKeyWNRAOPMMDRGXPS-VEDVMXKPSA-N
MW137.23 g/mol
LogP1.55
Rot. Bonds1

About (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine

(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine (PubChem CID 167693917) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine.

Molecular Properties

Compound Name(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine
PubChem CID167693917
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine
SMILESC#CN1C[C@@H](C)C1C(C)C
InChIInChI=1S/C9H15N/c1-5-10-6-8(4)9(10)7(2)3/h1,7-9H,6H2,2-4H3/t8-,9?/m1/s1
InChIKeyWNRAOPMMDRGXPS-VEDVMXKPSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine?
The IUPAC name of (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine (CID 167693917) is (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine.
What is the SMILES notation for (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine?
The canonical SMILES for (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine is C#CN1C[C@@H](C)C1C(C)C.
What is the InChIKey of (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine?
The InChIKey is WNRAOPMMDRGXPS-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H15N/c1-5-10-6-8(4)9(10)7(2)3/h1,7-9H,6H2,2-4H3/t8-,9?/m1/s1.
What are the key properties of (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine?
(3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine has a molecular weight of 137.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethynyl-3-methyl-2-propan-2-ylazetidine is sourced from PubChem (CID 167693917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).