(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione

C16H27NO3 — CID 10493094

IUPAC(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)C(C)C(=O)N1CCCC1OC
InChIInChI=1S/C16H27NO3/c1-4-5-6-7-8-10-14(18)13(2)16(19)17-12-9-11-15(17)20-3/h4-5,13,15H,6-12H2,1-3H3/b5-4+
InChIKeyNDDVPYSFJQNLIR-SNAWJCMRSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds8

About (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione

(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione (PubChem CID 10493094) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione.

Molecular Properties

Compound Name(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione
PubChem CID10493094
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)C(C)C(=O)N1CCCC1OC
InChIInChI=1S/C16H27NO3/c1-4-5-6-7-8-10-14(18)13(2)16(19)17-12-9-11-15(17)20-3/h4-5,13,15H,6-12H2,1-3H3/b5-4+
InChIKeyNDDVPYSFJQNLIR-SNAWJCMRSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione?
The IUPAC name of (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione (CID 10493094) is (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione.
What is the SMILES notation for (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione?
The canonical SMILES for (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione is C/C=C/CCCCC(=O)C(C)C(=O)N1CCCC1OC.
What is the InChIKey of (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione?
The InChIKey is NDDVPYSFJQNLIR-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-5-6-7-8-10-14(18)13(2)16(19)17-12-9-11-15(17)20-3/h4-5,13,15H,6-12H2,1-3H3/b5-4+.
What are the key properties of (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione?
(E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione has a molecular weight of 281.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxypyrrolidin-1-yl)-2-methyldec-8-ene-1,3-dione is sourced from PubChem (CID 10493094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).