(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one

C18H25NO4 — CID 10336084

IUPAC(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
SMILESCOC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3CCC[C@H]3[C@H]2[C@@H]1C
InChIInChI=1S/C18H25NO4/c1-10-14-12-6-4-8-19(12)9-5-7-13(14)22-16(10)17-15(21-3)11(2)18(20)23-17/h10,12-14H,4-9H2,1-3H3/b17-16-/t10-,12-,13+,14+/m0/s1
InChIKeyQOGDMMIESMJKJI-XTCHCVGGSA-N
MW319.40 g/mol
LogP2.58
Rot. Bonds1

About (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one

(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one (PubChem CID 10336084) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
PubChem CID10336084
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
SMILESCOC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3CCC[C@H]3[C@H]2[C@@H]1C
InChIInChI=1S/C18H25NO4/c1-10-14-12-6-4-8-19(12)9-5-7-13(14)22-16(10)17-15(21-3)11(2)18(20)23-17/h10,12-14H,4-9H2,1-3H3/b17-16-/t10-,12-,13+,14+/m0/s1
InChIKeyQOGDMMIESMJKJI-XTCHCVGGSA-N
XLogP2.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one?
The IUPAC name of (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one (CID 10336084) is (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one.
What is the SMILES notation for (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one?
The canonical SMILES for (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one is COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3CCC[C@H]3[C@H]2[C@@H]1C.
What is the InChIKey of (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one?
The InChIKey is QOGDMMIESMJKJI-XTCHCVGGSA-N. The full InChI is InChI=1S/C18H25NO4/c1-10-14-12-6-4-8-19(12)9-5-7-13(14)22-16(10)17-15(21-3)11(2)18(20)23-17/h10,12-14H,4-9H2,1-3H3/b17-16-/t10-,12-,13+,14+/m0/s1.
What are the key properties of (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one?
(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one has a molecular weight of 319.40 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one is sourced from PubChem (CID 10336084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).