(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C17H19N3O5 — CID 97399570

IUPAC(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C(c1ccc[nH]1)N1CCOC[C@@]2(C1)CN(c1ccoc1)C(=O)CO2
InChIInChI=1S/C17H19N3O5/c21-15-9-25-17(11-20(15)13-3-6-23-8-13)10-19(5-7-24-12-17)16(22)14-2-1-4-18-14/h1-4,6,8,18H,5,7,9-12H2/t17-/m1/s1
InChIKeyQUEVMVZWFQDRBK-QGZVFWFLSA-N
MW345.35 g/mol
LogP0.88
Rot. Bonds2

About (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 97399570) has the molecular formula C17H19N3O5 and a molecular weight of 345.35 g/mol. Its IUPAC name is (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID97399570
Molecular FormulaC17H19N3O5
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C(c1ccc[nH]1)N1CCOC[C@@]2(C1)CN(c1ccoc1)C(=O)CO2
InChIInChI=1S/C17H19N3O5/c21-15-9-25-17(11-20(15)13-3-6-23-8-13)10-19(5-7-24-12-17)16(22)14-2-1-4-18-14/h1-4,6,8,18H,5,7,9-12H2/t17-/m1/s1
InChIKeyQUEVMVZWFQDRBK-QGZVFWFLSA-N
XLogP0.88
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-4-(furan-3-yl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374677
8-(1H-imidazole-5-carbonyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118743375
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97398456
8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131644336
4-(4-fluorophenyl)-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131656880
4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118739369
(6S)-4-(4-fluorophenyl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374585
4-pyridin-3-yl-8-(1H-pyrrole-3-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131689627
[3-[(pyrimidin-2-ylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-pyrrol-2-yl)methanone
CID 134077601
8-[2-(dimethylamino)acetyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077933
8-(1-fluorocyclobutanecarbonyl)-4-(1-methylpyrazol-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685128
4-(1-methylpyrazol-4-yl)-8-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685265

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 97399570) is (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C(c1ccc[nH]1)N1CCOC[C@@]2(C1)CN(c1ccoc1)C(=O)CO2.
What is the InChIKey of (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is QUEVMVZWFQDRBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-15-9-25-17(11-20(15)13-3-6-23-8-13)10-19(5-7-24-12-17)16(22)14-2-1-4-18-14/h1-4,6,8,18H,5,7,9-12H2/t17-/m1/s1.
What are the key properties of (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
(6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 345.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(furan-3-yl)-8-(1H-pyrrole-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 97399570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).