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

C15H24N2O3 — CID 155876988

IUPACcyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESC=CCN1CCOCC2(C1)CN(C(=O)C1CC1)CCO2
InChIInChI=1S/C15H24N2O3/c1-2-5-16-6-8-19-12-15(10-16)11-17(7-9-20-15)14(18)13-3-4-13/h2,13H,1,3-12H2
InChIKeyRZGMUSDGNQRVHI-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.51
Rot. Bonds3

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

cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 155876988) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
PubChem CID155876988
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namecyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESC=CCN1CCOCC2(C1)CN(C(=O)C1CC1)CCO2
InChIInChI=1S/C15H24N2O3/c1-2-5-16-6-8-19-12-15(10-16)11-17(7-9-20-15)14(18)13-3-4-13/h2,13H,1,3-12H2
InChIKeyRZGMUSDGNQRVHI-UHFFFAOYSA-N
XLogP0.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 131655848
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
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
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
(6S)-4-[(1-methylpyrazol-4-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373050
cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398414
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057
4-(cyclopropylmethyl)-8-(4-methylcyclohexanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684285
4-[(1-methylimidazol-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070464
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (CID 155876988) is cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is C=CCN1CCOCC2(C1)CN(C(=O)C1CC1)CCO2.
What is the InChIKey of cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is RZGMUSDGNQRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-5-16-6-8-19-12-15(10-16)11-17(7-9-20-15)14(18)13-3-4-13/h2,13H,1,3-12H2.
What are the key properties of cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 155876988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).