(1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one

C15H18O2 — CID 14414282

IUPAC(1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one
SMILESCC1=CC=C2C1=C[C@H]1[C@@H](C[C@H]2C)OC(=O)[C@@H]1C
InChIInChI=1S/C15H18O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h4-5,7,9-10,13-14H,6H2,1-3H3/t9-,10-,13-,14-/m1/s1
InChIKeyUFUPDFMFAKLUDE-DMTCVQMQSA-N
MW230.31 g/mol
LogP3.02
Rot. Bonds

About (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one

(1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one (PubChem CID 14414282) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one.

Molecular Properties

Compound Name(1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one
PubChem CID14414282
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one
SMILESCC1=CC=C2C1=C[C@H]1[C@@H](C[C@H]2C)OC(=O)[C@@H]1C
InChIInChI=1S/C15H18O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h4-5,7,9-10,13-14H,6H2,1-3H3/t9-,10-,13-,14-/m1/s1
InChIKeyUFUPDFMFAKLUDE-DMTCVQMQSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Leukomisin
CID 167683
(-)-Eremanthin
CID 100572
(-)-Xanthatin
CID 5281511
Dehydroleucodine
CID 73440
Tomentosin
CID 155173
Cnidilide
CID 160710
Matricarin
CID 3083923
7-Methyl-3-Methylidene-6-(3-Oxobutyl)-4,7,8,8A-Tetrahydro-3Ah-Cyclohepta(B)Furan-2-One
CID 540288
3,6,9-Trimethyl-3,3A,4,5,9A,9B-Hexahydroazuleno(4,5-B)Furan-2,7-Dione
CID 291264
Cichoralexin
CID 5315718
3,6,9-trimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate
CID 627631
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829

Frequently Asked Questions

What is the IUPAC name of (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one?
The IUPAC name of (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one (CID 14414282) is (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one.
What is the SMILES notation for (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one?
The canonical SMILES for (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one is CC1=CC=C2C1=C[C@H]1[C@@H](C[C@H]2C)OC(=O)[C@@H]1C.
What is the InChIKey of (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one?
The InChIKey is UFUPDFMFAKLUDE-DMTCVQMQSA-N. The full InChI is InChI=1S/C15H18O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h4-5,7,9-10,13-14H,6H2,1-3H3/t9-,10-,13-,14-/m1/s1.
What are the key properties of (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one?
(1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,5R,9aR)-1,5,8-trimethyl-3a,4,5,9a-tetrahydro-1H-azuleno[6,5-b]furan-2-one is sourced from PubChem (CID 14414282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).