8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H17N3O4 — CID 27377648

IUPAC8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C14H17N3O4/c1-15-12(19)14(16(2)13(15)20)5-7-17(8-6-14)11(18)10-4-3-9-21-10/h3-4,9H,5-8H2,1-2H3
InChIKeyDPPJMYADQXZJHE-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.78
Rot. Bonds1

About 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27377648) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27377648
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C14H17N3O4/c1-15-12(19)14(16(2)13(15)20)5-7-17(8-6-14)11(18)10-4-3-9-21-10/h3-4,9H,5-8H2,1-2H3
InChIKeyDPPJMYADQXZJHE-UHFFFAOYSA-N
XLogP0.78
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 131916713
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 71878002
9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495819
13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131644960
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27377648) is 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O.
What is the InChIKey of 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DPPJMYADQXZJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-15-12(19)14(16(2)13(15)20)5-7-17(8-6-14)11(18)10-4-3-9-21-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27377648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).