3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C18H30N2O3 — CID 135091481

IUPAC3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESC=CCN1CC2(CCN(CCC3CCOC3)CC2)OCCC1=O
InChIInChI=1S/C18H30N2O3/c1-2-8-20-15-18(23-13-5-17(20)21)6-10-19(11-7-18)9-3-16-4-12-22-14-16/h2,16H,1,3-15H2
InChIKeyBTMONKGUTZRRAH-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.68
Rot. Bonds5

About 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 135091481) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID135091481
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESC=CCN1CC2(CCN(CCC3CCOC3)CC2)OCCC1=O
InChIInChI=1S/C18H30N2O3/c1-2-8-20-15-18(23-13-5-17(20)21)6-10-19(11-7-18)9-3-16-4-12-22-14-16/h2,16H,1,3-15H2
InChIKeyBTMONKGUTZRRAH-UHFFFAOYSA-N
XLogP1.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 135091481) is 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is C=CCN1CC2(CCN(CCC3CCOC3)CC2)OCCC1=O.
What is the InChIKey of 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is BTMONKGUTZRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-2-8-20-15-18(23-13-5-17(20)21)6-10-19(11-7-18)9-3-16-4-12-22-14-16/h2,16H,1,3-15H2.
What are the key properties of 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 322.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-yl)ethyl]-11-prop-2-enyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 135091481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).