[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol

C7H13NO — CID 131014550

IUPAC[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol
SMILESC=CC[C@H]1CN[C@@H]1CO
InChIInChI=1S/C7H13NO/c1-2-3-6-4-8-7(6)5-9/h2,6-9H,1,3-5H2/t6-,7+/m0/s1
InChIKeyNCCDXSNGXWGIHK-NKWVEPMBSA-N
MW127.19 g/mol
LogP0.14
Rot. Bonds3

About [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol

[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol (PubChem CID 131014550) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol
PubChem CID131014550
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol
SMILESC=CC[C@H]1CN[C@@H]1CO
InChIInChI=1S/C7H13NO/c1-2-3-6-4-8-7(6)5-9/h2,6-9H,1,3-5H2/t6-,7+/m0/s1
InChIKeyNCCDXSNGXWGIHK-NKWVEPMBSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
2-prop-2-enylaziridine
CID 90730816
[2-(2-methylpropyl)azetidin-3-yl]methanol
CID 105428528
(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
(2-ethylazetidin-3-yl)methanol
CID 105427056
[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
CID 126969951
4-prop-2-enylpiperidin-3-ol
CID 89139617
[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride
CID 170918285
(2S,3R,4R,5S,6R)-6-amino-2-(hydroxymethyl)azepane-3,4,5-triol
CID 11469580
[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 124582700
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol (CID 131014550) is [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol is C=CC[C@H]1CN[C@@H]1CO.
What is the InChIKey of [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol?
The InChIKey is NCCDXSNGXWGIHK-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6-4-8-7(6)5-9/h2,6-9H,1,3-5H2/t6-,7+/m0/s1.
What are the key properties of [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol?
[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol is sourced from PubChem (CID 131014550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).