[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol

C15H19NO — CID 10466367

IUPAC[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol
SMILESC/C=C/[C@H]1C[C@]1(/C=N/Cc1ccccc1)CO
InChIInChI=1S/C15H19NO/c1-2-6-14-9-15(14,12-17)11-16-10-13-7-4-3-5-8-13/h2-8,11,14,17H,9-10,12H2,1H3/b6-2+,16-11+/t14-,15-/m0/s1
InChIKeyCYFWFESSAZZKFE-WLEHEBMASA-N
MW229.32 g/mol
LogP2.83
Rot. Bonds5

About [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol

[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol (PubChem CID 10466367) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol
PubChem CID10466367
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol
SMILESC/C=C/[C@H]1C[C@]1(/C=N/Cc1ccccc1)CO
InChIInChI=1S/C15H19NO/c1-2-6-14-9-15(14,12-17)11-16-10-13-7-4-3-5-8-13/h2-8,11,14,17H,9-10,12H2,1H3/b6-2+,16-11+/t14-,15-/m0/s1
InChIKeyCYFWFESSAZZKFE-WLEHEBMASA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[6-(4-fluorophenyl)-3-methyl-4-propan-2-yl-4H-pyridin-3-yl]methanol
CID 141008264
5-Benzyliminopentan-1-ol
CID 130129561
(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol
CID 11310255
(2S)-2-(3-methylbutylideneamino)-2-phenylethanol
CID 11481144
(2R)-1-benzyliminopentan-2-ol
CID 89683399
1-[4-(2-Methylazirin-2-yl)phenyl]pentan-3-ol
CID 90294788
6-Benzylimino-5-methylheptan-2-ol
CID 123386976
5-Benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11300860
8-Methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11346508
N-benzyl-1-(2-propyloxiran-2-yl)methanimine
CID 12780566
4-Benzyliminobutan-1-ol
CID 130129562
N-benzyl-5-hydroxypentan-1-imine oxide
CID 177418537

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol (CID 10466367) is [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol is C/C=C/[C@H]1C[C@]1(/C=N/Cc1ccccc1)CO.
What is the InChIKey of [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol?
The InChIKey is CYFWFESSAZZKFE-WLEHEBMASA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-14-9-15(14,12-17)11-16-10-13-7-4-3-5-8-13/h2-8,11,14,17H,9-10,12H2,1H3/b6-2+,16-11+/t14-,15-/m0/s1.
What are the key properties of [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol?
[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol has a molecular weight of 229.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol is sourced from PubChem (CID 10466367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).