1-(3-ethylpyrrolidin-3-yl)nonan-1-one

C15H29NO — CID 116570178

IUPAC1-(3-ethylpyrrolidin-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(CC)CCNC1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-14(17)15(4-2)11-12-16-13-15/h16H,3-13H2,1-2H3
InChIKeyDDQSTCDKIRPWAL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.70
Rot. Bonds9

About 1-(3-ethylpyrrolidin-3-yl)nonan-1-one

1-(3-ethylpyrrolidin-3-yl)nonan-1-one (PubChem CID 116570178) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-3-yl)nonan-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-3-yl)nonan-1-one
PubChem CID116570178
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3-ethylpyrrolidin-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(CC)CCNC1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-14(17)15(4-2)11-12-16-13-15/h16H,3-13H2,1-2H3
InChIKeyDDQSTCDKIRPWAL-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-(3-ethylpyrrolidin-3-yl)hex-5-en-1-one
CID 116570351
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
1-(3-ethylpyrrolidin-3-yl)pent-4-yn-1-one
CID 116570384
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
1-[3-(trifluoromethyl)pyrrolidin-3-yl]heptan-1-one
CID 116572874
1-(3-methylpiperidin-3-yl)heptan-1-one
CID 116569464
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-3-yl)nonan-1-one?
The IUPAC name of 1-(3-ethylpyrrolidin-3-yl)nonan-1-one (CID 116570178) is 1-(3-ethylpyrrolidin-3-yl)nonan-1-one.
What is the SMILES notation for 1-(3-ethylpyrrolidin-3-yl)nonan-1-one?
The canonical SMILES for 1-(3-ethylpyrrolidin-3-yl)nonan-1-one is CCCCCCCCC(=O)C1(CC)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidin-3-yl)nonan-1-one?
The InChIKey is DDQSTCDKIRPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-14(17)15(4-2)11-12-16-13-15/h16H,3-13H2,1-2H3.
What are the key properties of 1-(3-ethylpyrrolidin-3-yl)nonan-1-one?
1-(3-ethylpyrrolidin-3-yl)nonan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-3-yl)nonan-1-one is sourced from PubChem (CID 116570178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).