3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C14H21ClN2O2 — CID 103065667

IUPAC3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESC=C(CCl)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C14H21ClN2O2/c1-11(9-15)10-17-12(18)14(16-13(17)19)7-5-3-2-4-6-8-14/h1-10H2,(H,16,19)
InChIKeyBXGBMWMKGYPTAT-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.82
Rot. Bonds3

About 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 103065667) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID103065667
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESC=C(CCl)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C14H21ClN2O2/c1-11(9-15)10-17-12(18)14(16-13(17)19)7-5-3-2-4-6-8-14/h1-10H2,(H,16,19)
InChIKeyBXGBMWMKGYPTAT-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103071664
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 103071770
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609910
3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 107507645
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 103065667) is 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is C=C(CCl)CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is BXGBMWMKGYPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(9-15)10-17-12(18)14(16-13(17)19)7-5-3-2-4-6-8-14/h1-10H2,(H,16,19).
What are the key properties of 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 284.79 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 103065667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).