[2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

C17H28N2O2 — CID 118739124

IUPAC[2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(CC2CC2)CC12CCOCC2)N1CCCC1
InChIInChI=1S/C17H28N2O2/c20-16(19-7-1-2-8-19)15-12-18(11-14-3-4-14)13-17(15)5-9-21-10-6-17/h14-15H,1-13H2
InChIKeyDGNJHOVPWCETDH-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.75
Rot. Bonds3

About [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

[2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118739124) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID118739124
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(CC2CC2)CC12CCOCC2)N1CCCC1
InChIInChI=1S/C17H28N2O2/c20-16(19-7-1-2-8-19)15-12-18(11-14-3-4-14)13-17(15)5-9-21-10-6-17/h14-15H,1-13H2
InChIKeyDGNJHOVPWCETDH-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (CID 118739124) is [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(CC2CC2)CC12CCOCC2)N1CCCC1.
What is the InChIKey of [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DGNJHOVPWCETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(19-7-1-2-8-19)15-12-18(11-14-3-4-14)13-17(15)5-9-21-10-6-17/h14-15H,1-13H2.
What are the key properties of [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
[2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118739124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).