3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one

C17H31NO2 — CID 144697927

IUPAC3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
SMILESC=CCCC(C)CC(COC)CC(=O)N1CCCC1C
InChIInChI=1S/C17H31NO2/c1-5-6-8-14(2)11-16(13-20-4)12-17(19)18-10-7-9-15(18)3/h5,14-16H,1,6-13H2,2-4H3
InChIKeyJFORLSUIYWQFBH-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.64
Rot. Bonds9

About 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one

3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one (PubChem CID 144697927) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
PubChem CID144697927
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
SMILESC=CCCC(C)CC(COC)CC(=O)N1CCCC1C
InChIInChI=1S/C17H31NO2/c1-5-6-8-14(2)11-16(13-20-4)12-17(19)18-10-7-9-15(18)3/h5,14-16H,1,6-13H2,2-4H3
InChIKeyJFORLSUIYWQFBH-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.64
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

5-(3-methoxy-3-methylhexan-2-yl)-1-methyl-4-[(Z)-prop-1-enyl]pyrrolidin-2-one
CID 59911325
(9R,9aR)-3-methoxy-9-propan-2-yl-9a-prop-2-enyl-2,3,6,7,8,9-hexahydro-1H-pyrrolo[1,2-a]azepin-5-one
CID 11097462
methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate
CID 11161063
3-(Hydroxymethyl)-1-pyrrolidin-1-yltridec-12-en-1-one
CID 102352504
methyl (3S)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate
CID 135621679
3,7-Dimethyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
CID 144493323

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The IUPAC name of 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one (CID 144697927) is 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one.
What is the SMILES notation for 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The canonical SMILES for 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one is C=CCCC(C)CC(COC)CC(=O)N1CCCC1C.
What is the InChIKey of 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The InChIKey is JFORLSUIYWQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-6-8-14(2)11-16(13-20-4)12-17(19)18-10-7-9-15(18)3/h5,14-16H,1,6-13H2,2-4H3.
What are the key properties of 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methyl-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one is sourced from PubChem (CID 144697927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).