3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one

C8H11NO2 — CID 145133136

IUPAC3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one
SMILESC=C1C2CC2C(=O)N1CCO
InChIInChI=1S/C8H11NO2/c1-5-6-4-7(6)8(11)9(5)2-3-10/h6-7,10H,1-4H2
InChIKeyLIUCGCJDYIMYEZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.03
Rot. Bonds2

About 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one

3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 145133136) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID145133136
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one
SMILESC=C1C2CC2C(=O)N1CCO
InChIInChI=1S/C8H11NO2/c1-5-6-4-7(6)8(11)9(5)2-3-10/h6-7,10H,1-4H2
InChIKeyLIUCGCJDYIMYEZ-UHFFFAOYSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aR)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98050631
2,6-bis[2-(2-hydroxyethoxy)ethyl]-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 89453005
3-(2-hydroxyethyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 85166730
5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 121202402
3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834936
3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834935
3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 130493104
3,4-dibromo-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 163216222
3-[(2E)-2-ethenylpenta-2,4-dienyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 144515975
4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)butanenitrile
CID 62666655
3-(2-hydroxyethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836115
2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione
CID 89451389

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one (CID 145133136) is 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one is C=C1C2CC2C(=O)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is LIUCGCJDYIMYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-6-4-7(6)8(11)9(5)2-3-10/h6-7,10H,1-4H2.
What are the key properties of 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one?
3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 153.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methylidene-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 145133136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).