(2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde

C11H13NO — CID 15286353

IUPAC(2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde
SMILESC[C@@H](c1ccccc1)N1C[C@@H]1C=O
InChIInChI=1S/C11H13NO/c1-9(12-7-11(12)8-13)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-,11+,12?/m0/s1
InChIKeyFSEPAAIMOIHFQW-WKAHHKJFSA-N
MW175.23 g/mol
LogP1.63
Rot. Bonds3

About (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde

(2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde (PubChem CID 15286353) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde
PubChem CID15286353
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde
SMILESC[C@@H](c1ccccc1)N1C[C@@H]1C=O
InChIInChI=1S/C11H13NO/c1-9(12-7-11(12)8-13)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-,11+,12?/m0/s1
InChIKeyFSEPAAIMOIHFQW-WKAHHKJFSA-N
XLogP1.63
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethyl-3-phenylaziridine
CID 95878
(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
3-(Benzyl(methyl)amino)-2,2-dimethylpropanal
CID 62275792
Benzylaminopropanal
CID 76118201
Methyl 1-benzylaziridine-2-carboxylate
CID 561085
(2S)-1-tritylaziridine-2-carbaldehyde
CID 10267594
ethyl (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
CID 11413340
2-Phenyl-1propylaziridine
CID 11457852
Ethyl 1-benzylaziridine-2-carboxylate
CID 11615394
(Dibenzylamino)acetaldehyde
CID 13622256
(2S)-1-[(1R)-1-Phenylethyl]aziridine-2-carboxamide
CID 7016432
(2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
CID 7018062

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde?
The IUPAC name of (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde (CID 15286353) is (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde?
The canonical SMILES for (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde is C[C@@H](c1ccccc1)N1C[C@@H]1C=O.
What is the InChIKey of (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde?
The InChIKey is FSEPAAIMOIHFQW-WKAHHKJFSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(12-7-11(12)8-13)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-,11+,12?/m0/s1.
What are the key properties of (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde?
(2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S)-1-phenylethyl]aziridine-2-carbaldehyde is sourced from PubChem (CID 15286353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).