(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine

C9H17N — CID 171423027

IUPAC(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine
SMILESCC(C)[C@H]1N[C@@H]1C1CCC1
InChIInChI=1S/C9H17N/c1-6(2)8-9(10-8)7-4-3-5-7/h6-10H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyBUJPLALBJQFIBI-RKDXNWHRSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds2

About (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine

(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine (PubChem CID 171423027) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine
PubChem CID171423027
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine
SMILESCC(C)[C@H]1N[C@@H]1C1CCC1
InChIInChI=1S/C9H17N/c1-6(2)8-9(10-8)7-4-3-5-7/h6-10H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyBUJPLALBJQFIBI-RKDXNWHRSA-N
XLogP1.78
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine?
The IUPAC name of (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine (CID 171423027) is (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine.
What is the SMILES notation for (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine?
The canonical SMILES for (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine is CC(C)[C@H]1N[C@@H]1C1CCC1.
What is the InChIKey of (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine?
The InChIKey is BUJPLALBJQFIBI-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)8-9(10-8)7-4-3-5-7/h6-10H,3-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine?
(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine is sourced from PubChem (CID 171423027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).