6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole

C9H15NO — CID 163984751

IUPAC6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole
SMILESC=C1CCOC2CN(C)CC12
InChIInChI=1S/C9H15NO/c1-7-3-4-11-9-6-10(2)5-8(7)9/h8-9H,1,3-6H2,2H3
InChIKeyTVGYWLFOLVQYDH-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.89
Rot. Bonds

About 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole

6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole (PubChem CID 163984751) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole
PubChem CID163984751
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole
SMILESC=C1CCOC2CN(C)CC12
InChIInChI=1S/C9H15NO/c1-7-3-4-11-9-6-10(2)5-8(7)9/h8-9H,1,3-6H2,2H3
InChIKeyTVGYWLFOLVQYDH-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.89
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

6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 70355058
6-Methylidene-8a-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydroindolizine
CID 164922044
2-Methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
CID 164922132
1-[[(2S,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 904941
1-[[(2S,3R,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 1426488
1-[(6-Methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine
CID 3327518
1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 6545168
1-[[(2R,3R,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 7078980
1-[[(2R,3R,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 7078982
1-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 7078984
1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 7078986
(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 157778625

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
The IUPAC name of 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole (CID 163984751) is 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole.
What is the SMILES notation for 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
The canonical SMILES for 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole is C=C1CCOC2CN(C)CC12.
What is the InChIKey of 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
The InChIKey is TVGYWLFOLVQYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-3-4-11-9-6-10(2)5-8(7)9/h8-9H,1,3-6H2,2H3.
What are the key properties of 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole?
6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole has a molecular weight of 153.22 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole is sourced from PubChem (CID 163984751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).