(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine

C9H15NO — CID 146204588

IUPAC(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine
SMILESC=C(C)[C@H]1CC[C@]2(N)CC1O2
InChIInChI=1S/C9H15NO/c1-6(2)7-3-4-9(10)5-8(7)11-9/h7-8H,1,3-5,10H2,2H3/t7-,8?,9-/m1/s1
InChIKeyAFHGNJPLVUGQCT-PSGOWDBMSA-N
MW153.22 g/mol
LogP1.42
Rot. Bonds1

About (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine

(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine (PubChem CID 146204588) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine.

Molecular Properties

Compound Name(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine
PubChem CID146204588
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine
SMILESC=C(C)[C@H]1CC[C@]2(N)CC1O2
InChIInChI=1S/C9H15NO/c1-6(2)7-3-4-9(10)5-8(7)11-9/h7-8H,1,3-5,10H2,2H3/t7-,8?,9-/m1/s1
InChIKeyAFHGNJPLVUGQCT-PSGOWDBMSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 175178027
[(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol
CID 170039515
4-[3-[3-(chloromethyl)oxiran-2-yl]prop-1-en-2-yl]-1-methyl-6-oxabicyclo[3.1.1]heptane
CID 123727869
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
CID 53310182
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
(1aS,2aS,3S,5aR,7S,7aR)-7a-(hydroxymethyl)-5a-methyl-3-prop-1-en-2-yl-1a,2,2a,3,4,5,6,7-octahydroazuleno[6,7-b]oxiren-7-ol
CID 162865412
[(1S,2S,4aR,8R,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl]-methanidylazanium
CID 163147683
2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane
CID 121004169
2-[(1R,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]propanedinitrile
CID 102411236
(1S,4R,4aR,5R,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,5-diol
CID 54754034
(1R,2S,4aR,8S,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 91489543

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine?
The IUPAC name of (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine (CID 146204588) is (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine.
What is the SMILES notation for (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine?
The canonical SMILES for (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine is C=C(C)[C@H]1CC[C@]2(N)CC1O2.
What is the InChIKey of (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine?
The InChIKey is AFHGNJPLVUGQCT-PSGOWDBMSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)7-3-4-9(10)5-8(7)11-9/h7-8H,1,3-5,10H2,2H3/t7-,8?,9-/m1/s1.
What are the key properties of (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine?
(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine is sourced from PubChem (CID 146204588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).