1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

C14H23NO — CID 91303451

IUPAC1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESC=C(C)[C@]1(C(=O)CC)CCC2CCC1N2C
InChIInChI=1S/C14H23NO/c1-5-13(16)14(10(2)3)9-8-11-6-7-12(14)15(11)4/h11-12H,2,5-9H2,1,3-4H3/t11?,12?,14-/m1/s1
InChIKeyMIGIFZQVUCFKSL-ORHYLEIMSA-N
MW221.34 g/mol
LogP2.78
Rot. Bonds3

About 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one (PubChem CID 91303451) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
PubChem CID91303451
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESC=C(C)[C@]1(C(=O)CC)CCC2CCC1N2C
InChIInChI=1S/C14H23NO/c1-5-13(16)14(10(2)3)9-8-11-6-7-12(14)15(11)4/h11-12H,2,5-9H2,1,3-4H3/t11?,12?,14-/m1/s1
InChIKeyMIGIFZQVUCFKSL-ORHYLEIMSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one with MolForge

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Related Compounds

(1S,2S)-2,8-bis(prop-2-enyl)-8-azabicyclo[3.2.1]octan-3-one
CID 134947963
(1S,2S)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 134966008
(5R,8aS)-5-tert-butyl-2-methylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 101260107
(1S,5R)-8-methyl-2-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234243
(1R,2R,5S)-2,8-bis(prop-2-enyl)-8-azabicyclo[3.2.1]octan-3-one
CID 102098120
3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-one
CID 112680638
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylidenepentan-1-one
CID 112680658
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-one
CID 112680668
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)hex-5-en-1-one
CID 112680752
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-one
CID 112680756
2-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-en-1-one
CID 112680762
4-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-one
CID 114473721

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The IUPAC name of 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one (CID 91303451) is 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one is C=C(C)[C@]1(C(=O)CC)CCC2CCC1N2C.
What is the InChIKey of 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The InChIKey is MIGIFZQVUCFKSL-ORHYLEIMSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(16)14(10(2)3)9-8-11-6-7-12(14)15(11)4/h11-12H,2,5-9H2,1,3-4H3/t11?,12?,14-/m1/s1.
What are the key properties of 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-8-methyl-2-prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one is sourced from PubChem (CID 91303451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).