1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione

C18H33NO3 — CID 169257863

IUPAC1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione
SMILESCOC[C@@H]1CCCN1C(=O)CCCCCCCC(=O)C(C)C
InChIInChI=1S/C18H33NO3/c1-15(2)17(20)11-7-5-4-6-8-12-18(21)19-13-9-10-16(19)14-22-3/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyFZEULVQIMKLSFK-INIZCTEOSA-N
MW311.47 g/mol
LogP3.58
Rot. Bonds11

About 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione

1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione (PubChem CID 169257863) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione.

Molecular Properties

Compound Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione
PubChem CID169257863
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione
SMILESCOC[C@@H]1CCCN1C(=O)CCCCCCCC(=O)C(C)C
InChIInChI=1S/C18H33NO3/c1-15(2)17(20)11-7-5-4-6-8-12-18(21)19-13-9-10-16(19)14-22-3/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyFZEULVQIMKLSFK-INIZCTEOSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione?
The IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione (CID 169257863) is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione.
What is the SMILES notation for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione?
The canonical SMILES for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione is COC[C@@H]1CCCN1C(=O)CCCCCCCC(=O)C(C)C.
What is the InChIKey of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione?
The InChIKey is FZEULVQIMKLSFK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33NO3/c1-15(2)17(20)11-7-5-4-6-8-12-18(21)19-13-9-10-16(19)14-22-3/h15-16H,4-14H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione?
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione has a molecular weight of 311.47 g/mol, XLogP of 3.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-10-methylundecane-1,9-dione is sourced from PubChem (CID 169257863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).