3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H21N3O2 — CID 103071770

IUPAC3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC=C(CNC1CC1)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H21N3O2/c1-10(8-15-11-4-5-11)9-17-12(18)14(16-13(17)19)6-2-3-7-14/h11,15H,1-9H2,(H,16,19)
InChIKeyZXXQTHCDSCLRRT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds5

About 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 103071770) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID103071770
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC=C(CNC1CC1)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H21N3O2/c1-10(8-15-11-4-5-11)9-17-12(18)14(16-13(17)19)6-2-3-7-14/h11,15H,1-9H2,(H,16,19)
InChIKeyZXXQTHCDSCLRRT-UHFFFAOYSA-N
XLogP1.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 103065667
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119450197
3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2622817
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2708847
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2503024
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 103071770) is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is C=C(CNC1CC1)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ZXXQTHCDSCLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(8-15-11-4-5-11)9-17-12(18)14(16-13(17)19)6-2-3-7-14/h11,15H,1-9H2,(H,16,19).
What are the key properties of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 263.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 103071770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).