[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol

C7H11NO2 — CID 176808873

IUPAC[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol
SMILESOCC1CC(CO)C2=C1N2
InChIInChI=1S/C7H11NO2/c9-2-4-1-5(3-10)7-6(4)8-7/h4-5,8-10H,1-3H2
InChIKeyFKIWQZSZMALWMV-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.58
Rot. Bonds2

About [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol

[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol (PubChem CID 176808873) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol
PubChem CID176808873
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol
SMILESOCC1CC(CO)C2=C1N2
InChIInChI=1S/C7H11NO2/c9-2-4-1-5(3-10)7-6(4)8-7/h4-5,8-10H,1-3H2
InChIKeyFKIWQZSZMALWMV-UHFFFAOYSA-N
XLogP-0.58
TPSA62.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol (CID 176808873) is [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol is OCC1CC(CO)C2=C1N2.
What is the InChIKey of [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol?
The InChIKey is FKIWQZSZMALWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-2-4-1-5(3-10)7-6(4)8-7/h4-5,8-10H,1-3H2.
What are the key properties of [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol?
[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol is sourced from PubChem (CID 176808873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).