(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene

C14H23NO — CID 10262949

IUPAC(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@]2(C1)OC(C)=N[C@@H]2C
InChIInChI=1S/C14H23NO/c1-9(2)13-7-6-10(3)14(8-13)11(4)15-12(5)16-14/h10-11,13H,1,6-8H2,2-5H3/t10-,11-,13-,14+/m1/s1
InChIKeyCKFDSHYCPPMIPL-OXHZDVMGSA-N
MW221.34 g/mol
LogP3.57
Rot. Bonds1

About (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene

(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene (PubChem CID 10262949) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene
PubChem CID10262949
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@]2(C1)OC(C)=N[C@@H]2C
InChIInChI=1S/C14H23NO/c1-9(2)13-7-6-10(3)14(8-13)11(4)15-12(5)16-14/h10-11,13H,1,6-8H2,2-5H3/t10-,11-,13-,14+/m1/s1
InChIKeyCKFDSHYCPPMIPL-OXHZDVMGSA-N
XLogP3.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
CID 10397451
6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane
CID 134986380
(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one
CID 11747033
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953
1-[(4S,5S)-2,4,5-trimethyl-4H-1,3-oxazol-5-yl]ethanone
CID 93498499
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 42608177
(1S,4R,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162963435
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.2.0]octan-8-one
CID 164910073
(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]
CID 154601688
(2S,3S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]
CID 154601701
3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
CID 163960686
8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8-octahydroazulen-1-one
CID 10376840

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene?
The IUPAC name of (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene (CID 10262949) is (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene?
The canonical SMILES for (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene is C=C(C)[C@@H]1CC[C@@H](C)[C@]2(C1)OC(C)=N[C@@H]2C.
What is the InChIKey of (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene?
The InChIKey is CKFDSHYCPPMIPL-OXHZDVMGSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)13-7-6-10(3)14(8-13)11(4)15-12(5)16-14/h10-11,13H,1,6-8H2,2-5H3/t10-,11-,13-,14+/m1/s1.
What are the key properties of (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene?
(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene has a molecular weight of 221.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 10262949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).