2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine

C16H21NSe — CID 11289742

IUPAC2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine
SMILESC=C1CN1[C@H]1CCCC[C@H]1C[Se]c1ccccc1
InChIInChI=1S/C16H21NSe/c1-13-11-17(13)16-10-6-5-7-14(16)12-18-15-8-3-2-4-9-15/h2-4,8-9,14,16H,1,5-7,10-12H2/t14-,16-,17?/m0/s1
InChIKeyRHBZZDOPORKJAC-CCWDIYBNSA-N
MW306.31 g/mol
LogP2.82
Rot. Bonds4

About 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine

2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine (PubChem CID 11289742) has the molecular formula C16H21NSe and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine.

Molecular Properties

Compound Name2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine
PubChem CID11289742
Molecular FormulaC16H21NSe
Molecular Weight306.31 g/mol
Exact Mass307.08
IUPAC Name2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine
SMILESC=C1CN1[C@H]1CCCC[C@H]1C[Se]c1ccccc1
InChIInChI=1S/C16H21NSe/c1-13-11-17(13)16-10-6-5-7-14(16)12-18-15-8-3-2-4-9-15/h2-4,8-9,14,16H,1,5-7,10-12H2/t14-,16-,17?/m0/s1
InChIKeyRHBZZDOPORKJAC-CCWDIYBNSA-N
XLogP2.82
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine?
The IUPAC name of 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine (CID 11289742) is 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine.
What is the SMILES notation for 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine?
The canonical SMILES for 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine is C=C1CN1[C@H]1CCCC[C@H]1C[Se]c1ccccc1.
What is the InChIKey of 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine?
The InChIKey is RHBZZDOPORKJAC-CCWDIYBNSA-N. The full InChI is InChI=1S/C16H21NSe/c1-13-11-17(13)16-10-6-5-7-14(16)12-18-15-8-3-2-4-9-15/h2-4,8-9,14,16H,1,5-7,10-12H2/t14-,16-,17?/m0/s1.
What are the key properties of 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine?
2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine has a molecular weight of 306.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-[(1S,2R)-2-(phenylselanylmethyl)cyclohexyl]aziridine is sourced from PubChem (CID 11289742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).