4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H20N2O3S — CID 97384675

IUPAC4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(C(=O)c3ccsc3)CC2)OCC1=O
InChIInChI=1S/C16H20N2O3S/c1-2-6-18-12-16(21-10-14(18)19)4-7-17(8-5-16)15(20)13-3-9-22-11-13/h2-3,9,11H,1,4-8,10,12H2
InChIKeyFJZXJJAHNBFBKN-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.77
Rot. Bonds3

About 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384675) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384675
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(C(=O)c3ccsc3)CC2)OCC1=O
InChIInChI=1S/C16H20N2O3S/c1-2-6-18-12-16(21-10-14(18)19)4-7-17(8-5-16)15(20)13-3-9-22-11-13/h2-3,9,11H,1,4-8,10,12H2
InChIKeyFJZXJJAHNBFBKN-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.77
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

9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471407
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999673
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(thiophene-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70759723
9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471398
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384670
9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680253
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
4-(cyclopropylmethyl)-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471430
9-(5-acetylthiophene-3-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918054
[4-(4-aminopyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
CID 131945064

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384675) is 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCN(C(=O)c3ccsc3)CC2)OCC1=O.
What is the InChIKey of 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FJZXJJAHNBFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-6-18-12-16(21-10-14(18)19)4-7-17(8-5-16)15(20)13-3-9-22-11-13/h2-3,9,11H,1,4-8,10,12H2.
What are the key properties of 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 320.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).