1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone

C15H25NO3 — CID 116583409

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(9-12-1-5-16-11-12)13-2-6-19-15(10-13)3-7-18-8-4-15/h12-13,16H,1-11H2
InChIKeyBBFRCWJMZGGRSH-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.53
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 116583409) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone
PubChem CID116583409
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H25NO3/c17-14(9-12-1-5-16-11-12)13-2-6-19-15(10-13)3-7-18-8-4-15/h12-13,16H,1-11H2
InChIKeyBBFRCWJMZGGRSH-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605977
1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-3-ylethanone
CID 116564109
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
CID 116563307
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
2-(2-aminoethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanone
CID 116590914
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone (CID 116583409) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is BBFRCWJMZGGRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(9-12-1-5-16-11-12)13-2-6-19-15(10-13)3-7-18-8-4-15/h12-13,16H,1-11H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 267.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116583409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).