3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide

C14H22N2O3 — CID 7321625

IUPAC3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide
SMILESC=C(C)[C@H]1CC[C@@]2(C)OC(=O)N(CCC(N)=O)[C@]12C
InChIInChI=1S/C14H22N2O3/c1-9(2)10-5-7-13(3)14(10,4)16(12(18)19-13)8-6-11(15)17/h10H,1,5-8H2,2-4H3,(H2,15,17)/t10-,13-,14-/m1/s1
InChIKeyCBQJCJATQXXLHT-LERXQTSPSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds4

About 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide

3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide (PubChem CID 7321625) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide
PubChem CID7321625
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide
SMILESC=C(C)[C@H]1CC[C@@]2(C)OC(=O)N(CCC(N)=O)[C@]12C
InChIInChI=1S/C14H22N2O3/c1-9(2)10-5-7-13(3)14(10,4)16(12(18)19-13)8-6-11(15)17/h10H,1,5-8H2,2-4H3,(H2,15,17)/t10-,13-,14-/m1/s1
InChIKeyCBQJCJATQXXLHT-LERXQTSPSA-N
XLogP1.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl)ethyl formate
CID 3909775
trans-ethyl (1S,2R)-1-methyl-2-prop-1-en-2-ylcyclobutane-1-carboxylate
CID 102361775
(4R,7S,12R)-4,8,8,12-tetramethyl-3,9-dioxa-1-azatricyclo[5.4.1.04,12]dodecan-2-one
CID 7106886
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]propanamide
CID 107160625
3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide
CID 24869668
3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115304874
2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 89031619
3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
CID 124954905
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
CID 114513836
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
3-(2,2,3,3-tetramethylazetidin-1-yl)propanamide
CID 130625607
3-[6,9a,9b-trimethyl-3-(2-methyl-5-oxooxolan-2-yl)-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
CID 75294082

Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide?
The IUPAC name of 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide (CID 7321625) is 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide.
What is the SMILES notation for 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide?
The canonical SMILES for 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide is C=C(C)[C@H]1CC[C@@]2(C)OC(=O)N(CCC(N)=O)[C@]12C.
What is the InChIKey of 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide?
The InChIKey is CBQJCJATQXXLHT-LERXQTSPSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)10-5-7-13(3)14(10,4)16(12(18)19-13)8-6-11(15)17/h10H,1,5-8H2,2-4H3,(H2,15,17)/t10-,13-,14-/m1/s1.
What are the key properties of 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide?
3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-4-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-3-yl]propanamide is sourced from PubChem (CID 7321625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).