9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one

C17H23N3O3 — CID 97373327

IUPAC9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC=CCN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-3-8-20-12-11-18(2)17(16(20)22)6-9-19(10-7-17)15(21)14-5-4-13-23-14/h3-5,13H,1,6-12H2,2H3
InChIKeyXGMPUAVCZMHJFR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.21
Rot. Bonds3

About 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one

9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97373327) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97373327
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESC=CCN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-3-8-20-12-11-18(2)17(16(20)22)6-9-19(10-7-17)15(21)14-5-4-13-23-14/h3-5,13H,1,6-12H2,2H3
InChIKeyXGMPUAVCZMHJFR-UHFFFAOYSA-N
XLogP1.21
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.21
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

8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
N-benzyl-2-[8-(furan-2-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4093931
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495819
9-[(4-fluorophenyl)methyl]-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155833830
8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370220
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383988
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97373327) is 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one is C=CCN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1=O.
What is the InChIKey of 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is XGMPUAVCZMHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-8-20-12-11-18(2)17(16(20)22)6-9-19(10-7-17)15(21)14-5-4-13-23-14/h3-5,13H,1,6-12H2,2H3.
What are the key properties of 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 317.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97373327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).