(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C18H20ClNO3 — CID 72912852

IUPAC(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C18H20ClNO3/c19-15-2-3-16-13(9-15)8-14(10-23-16)17(21)20-6-1-4-18(11-20)5-7-22-12-18/h2-3,8-9H,1,4-7,10-12H2
InChIKeyDUVXBLMJZSDXIE-UHFFFAOYSA-N
MW333.81 g/mol
LogP3.14
Rot. Bonds1

About (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 72912852) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID72912852
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC Name(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C18H20ClNO3/c19-15-2-3-16-13(9-15)8-14(10-23-16)17(21)20-6-1-4-18(11-20)5-7-22-12-18/h2-3,8-9H,1,4-7,10-12H2
InChIKeyDUVXBLMJZSDXIE-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134005447
1-[5-[2-(6-chloro-2H-chromene-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]thiophen-2-yl]ethanone
CID 3821331
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279132
1-(6-chloro-2H-chromene-3-carbonyl)-1,4-diazepan-5-one
CID 62046256
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008
(1S,5R)-3-(6-chloro-2H-chromene-3-carbonyl)-3,9-diazabicyclo[3.3.2]decan-10-one
CID 90653520
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72876722
(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
CID 3800574

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 72912852) is (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCC2(CCOC2)C1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is DUVXBLMJZSDXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c19-15-2-3-16-13(9-15)8-14(10-23-16)17(21)20-6-1-4-18(11-20)5-7-22-12-18/h2-3,8-9H,1,4-7,10-12H2.
What are the key properties of (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 333.81 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 72912852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).