(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol

C14H21NO — CID 138512928

IUPAC(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol
SMILESC/C=C1/C(O)=C(C=C(C)C)C2CCC1N2C
InChIInChI=1S/C14H21NO/c1-5-10-12-6-7-13(15(12)4)11(14(10)16)8-9(2)3/h5,8,12-13,16H,6-7H2,1-4H3/b10-5+
InChIKeyYCCXIHURGABTMR-BJMVGYQFSA-N
MW219.33 g/mol
LogP3.19
Rot. Bonds1

About (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol

(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol (PubChem CID 138512928) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol.

Molecular Properties

Compound Name(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol
PubChem CID138512928
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol
SMILESC/C=C1/C(O)=C(C=C(C)C)C2CCC1N2C
InChIInChI=1S/C14H21NO/c1-5-10-12-6-7-13(15(12)4)11(14(10)16)8-9(2)3/h5,8,12-13,16H,6-7H2,1-4H3/b10-5+
InChIKeyYCCXIHURGABTMR-BJMVGYQFSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol?
The IUPAC name of (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol (CID 138512928) is (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol.
What is the SMILES notation for (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol?
The canonical SMILES for (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol is C/C=C1/C(O)=C(C=C(C)C)C2CCC1N2C.
What is the InChIKey of (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol?
The InChIKey is YCCXIHURGABTMR-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-10-12-6-7-13(15(12)4)11(14(10)16)8-9(2)3/h5,8,12-13,16H,6-7H2,1-4H3/b10-5+.
What are the key properties of (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol?
(4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol has a molecular weight of 219.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-8-methyl-2-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]oct-2-en-3-ol is sourced from PubChem (CID 138512928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).