8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H15IN2O3 — CID 147984267

IUPAC8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3ccc(I)cc3)CC2)O1
InChIInChI=1S/C14H15IN2O3/c15-11-3-1-10(2-4-11)12(18)17-7-5-14(6-8-17)9-16-13(19)20-14/h1-4H,5-9H2,(H,16,19)
InChIKeyITVCKQUKHPVYDC-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.01
Rot. Bonds1

About 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 147984267) has the molecular formula C14H15IN2O3 and a molecular weight of 386.19 g/mol. Its IUPAC name is 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID147984267
Molecular FormulaC14H15IN2O3
Molecular Weight386.19 g/mol
Exact Mass386.01
IUPAC Name8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3ccc(I)cc3)CC2)O1
InChIInChI=1S/C14H15IN2O3/c15-11-3-1-10(2-4-11)12(18)17-7-5-14(6-8-17)9-16-13(19)20-14/h1-4H,5-9H2,(H,16,19)
InChIKeyITVCKQUKHPVYDC-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
9-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56916764
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716081
(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
CID 55137830
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
8-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 171907092
7-[4-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 166373623
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
9-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56901941

Frequently Asked Questions

What is the IUPAC name of 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 147984267) is 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(=O)c3ccc(I)cc3)CC2)O1.
What is the InChIKey of 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ITVCKQUKHPVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O3/c15-11-3-1-10(2-4-11)12(18)17-7-5-14(6-8-17)9-16-13(19)20-14/h1-4H,5-9H2,(H,16,19).
What are the key properties of 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 386.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 147984267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).