(4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene

C11H17N — CID 167144635

IUPAC(4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene
SMILESC=C(C)[C@@H]1N=C(C)C2CCC1C2
InChIInChI=1S/C11H17N/c1-7(2)11-10-5-4-9(6-10)8(3)12-11/h9-11H,1,4-6H2,2-3H3/t9?,10?,11-/m0/s1
InChIKeyZBTMTZNOMKYXHD-ILDUYXDCSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds1

About (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene

(4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene (PubChem CID 167144635) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene
PubChem CID167144635
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene
SMILESC=C(C)[C@@H]1N=C(C)C2CCC1C2
InChIInChI=1S/C11H17N/c1-7(2)11-10-5-4-9(6-10)8(3)12-11/h9-11H,1,4-6H2,2-3H3/t9?,10?,11-/m0/s1
InChIKeyZBTMTZNOMKYXHD-ILDUYXDCSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene (CID 167144635) is (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene is C=C(C)[C@@H]1N=C(C)C2CCC1C2.
What is the InChIKey of (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is ZBTMTZNOMKYXHD-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H17N/c1-7(2)11-10-5-4-9(6-10)8(3)12-11/h9-11H,1,4-6H2,2-3H3/t9?,10?,11-/m0/s1.
What are the key properties of (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene?
(4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 163.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-prop-1-en-2-yl-3-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 167144635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).