methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

C10H18N2O — CID 147585336

IUPACmethylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
SMILESC=C(C)N1CC2C(C1)C2C(O)NC
InChIInChI=1S/C10H18N2O/c1-6(2)12-4-7-8(5-12)9(7)10(13)11-3/h7-11,13H,1,4-5H2,2-3H3
InChIKeyFXFKAZCPYRGBOV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.24
Rot. Bonds3

About methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol (PubChem CID 147585336) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol.

Molecular Properties

Compound Namemethylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
PubChem CID147585336
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namemethylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
SMILESC=C(C)N1CC2C(C1)C2C(O)NC
InChIInChI=1S/C10H18N2O/c1-6(2)12-4-7-8(5-12)9(7)10(13)11-3/h7-11,13H,1,4-5H2,2-3H3
InChIKeyFXFKAZCPYRGBOV-UHFFFAOYSA-N
XLogP0.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The IUPAC name of methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol (CID 147585336) is methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol.
What is the SMILES notation for methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The canonical SMILES for methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol is C=C(C)N1CC2C(C1)C2C(O)NC.
What is the InChIKey of methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
The InChIKey is FXFKAZCPYRGBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6(2)12-4-7-8(5-12)9(7)10(13)11-3/h7-11,13H,1,4-5H2,2-3H3.
What are the key properties of methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol?
methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol has a molecular weight of 182.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(3-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methanol is sourced from PubChem (CID 147585336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).