(7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one

C10H14O2 — CID 169429090

IUPAC(7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
SMILESC=C1COC(=O)C2C1CC[C@H]2C
InChIInChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6,8-9H,2-5H2,1H3/t6-,8?,9?/m1/s1
InChIKeyPPVMQLLEEDOGLH-KXNKJCORSA-N
MW166.22 g/mol
LogP1.76
Rot. Bonds

About (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one

(7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one (PubChem CID 169429090) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one.

Molecular Properties

Compound Name(7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
PubChem CID169429090
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
SMILESC=C1COC(=O)C2C1CC[C@H]2C
InChIInChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6,8-9H,2-5H2,1H3/t6-,8?,9?/m1/s1
InChIKeyPPVMQLLEEDOGLH-KXNKJCORSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.76
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,2S,7R,8S)-6-methylidene-4-oxatricyclo[6.2.1.02,7]undecan-5-one
CID 90675116
(4aS,7S,7aR)-7-methyl-4-methylidene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-one
CID 11805123
(4aS,7S,7aR)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
CID 90442131
ethyl 4-[(1S,2S)-2-ethylcyclopentyl]-2-methylidenebutanoate
CID 135080340
(4aS,7aS)-6-methylidene-1,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran-3-one
CID 10898880
(1R,4S,4aR,7R,7aS)-1-(cyclopenten-1-yl)-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 14866902
2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate
CID 102526105
(4aR,7aS)-7a-methyl-7-methylidene-4,4a,5,6-tetrahydro-1H-cyclopenta[c]pyran-3-one
CID 7140309
ethyl 2-[(3S,5R)-3,5-dimethyl-2-methylidenecyclopentyl]acetate
CID 10035585
ethyl 2-[(3S,5R)-3,5-dimethyl-2-methylidenecyclopentyl]propanoate
CID 11805963
(4aR,7aR)-7a-methyl-7-methylidene-4,4a,5,6-tetrahydro-1H-cyclopenta[c]pyran-3-one
CID 92331335
Methyl 7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 20652373

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one?
The IUPAC name of (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one (CID 169429090) is (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one.
What is the SMILES notation for (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one?
The canonical SMILES for (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one is C=C1COC(=O)C2C1CC[C@H]2C.
What is the InChIKey of (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one?
The InChIKey is PPVMQLLEEDOGLH-KXNKJCORSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6,8-9H,2-5H2,1H3/t6-,8?,9?/m1/s1.
What are the key properties of (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one?
(7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-4-methylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one is sourced from PubChem (CID 169429090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).