oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

C16H26N2O4 — CID 131655848

IUPACoxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESC=CCN1CCOCC2(C1)CN(C(=O)C1CCOC1)CCO2
InChIInChI=1S/C16H26N2O4/c1-2-4-17-5-8-21-13-16(11-17)12-18(6-9-22-16)15(19)14-3-7-20-10-14/h2,14H,1,3-13H2
InChIKeyUHVUQPKSNCPJRX-UHFFFAOYSA-N
MW310.39 g/mol
LogP0.14
Rot. Bonds3

About oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 131655848) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
PubChem CID131655848
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameoxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESC=CCN1CCOCC2(C1)CN(C(=O)C1CCOC1)CCO2
InChIInChI=1S/C16H26N2O4/c1-2-4-17-5-8-21-13-16(11-17)12-18(6-9-22-16)15(19)14-3-7-20-10-14/h2,14H,1,3-13H2
InChIKeyUHVUQPKSNCPJRX-UHFFFAOYSA-N
XLogP0.14
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 155876988
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
2,2-dimethyl-1-[4-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one
CID 56913907
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 131683528
(6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373050
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398414
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
4-[(1-methylimidazol-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070464

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (CID 131655848) is oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is C=CCN1CCOCC2(C1)CN(C(=O)C1CCOC1)CCO2.
What is the InChIKey of oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is UHVUQPKSNCPJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-2-4-17-5-8-21-13-16(11-17)12-18(6-9-22-16)15(19)14-3-7-20-10-14/h2,14H,1,3-13H2.
What are the key properties of oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 310.39 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 131655848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).