(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol

C13H17NO — CID 12027951

IUPAC(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-13(15)12-9-14(12)10(2)11-7-5-4-6-8-11/h3-8,10,12-13,15H,1,9H2,2H3/t10-,12+,13-,14?/m1/s1
InChIKeyLRTSIVAOQICDOP-SYJMQEPRSA-N
MW203.28 g/mol
LogP1.98
Rot. Bonds4

About (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol

(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol (PubChem CID 12027951) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol
PubChem CID12027951
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-13(15)12-9-14(12)10(2)11-7-5-4-6-8-11/h3-8,10,12-13,15H,1,9H2,2H3/t10-,12+,13-,14?/m1/s1
InChIKeyLRTSIVAOQICDOP-SYJMQEPRSA-N
XLogP1.98
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]but-3-en-1-ol
CID 71475357
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
CID 142660938
CID 11984519
CID 11984519
(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine
CID 101221832
(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 10515991
methyl (2S,3S)-2,3-dihydroxy-3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 138966686
ethyl (3S)-3-hydroxy-3-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propanoate
CID 11076293
ethyl (3S)-3-hydroxy-3-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propanoate
CID 11832258
(1R)-1-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]hept-2-yn-1-ol
CID 100979767
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
CID 12025791

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol (CID 12027951) is (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@@H]1CN1[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol?
The InChIKey is LRTSIVAOQICDOP-SYJMQEPRSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-13(15)12-9-14(12)10(2)11-7-5-4-6-8-11/h3-8,10,12-13,15H,1,9H2,2H3/t10-,12+,13-,14?/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol?
(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol has a molecular weight of 203.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 12027951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).