(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C17H18ClNO4 — CID 134005447

IUPAC(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H18ClNO4/c18-14-1-2-15-12(10-14)9-13(11-21-15)16(20)19-5-3-17(4-6-19)22-7-8-23-17/h1-2,9-10H,3-8,11H2
InChIKeyRWVXEIPAOSHGHQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.48
Rot. Bonds1

About (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 134005447) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID134005447
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H18ClNO4/c18-14-1-2-15-12(10-14)9-13(11-21-15)16(20)19-5-3-17(4-6-19)22-7-8-23-17/h1-2,9-10H,3-8,11H2
InChIKeyRWVXEIPAOSHGHQ-UHFFFAOYSA-N
XLogP2.48
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

1-[5-[2-(6-chloro-2H-chromene-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]thiophen-2-yl]ethanone
CID 3821331
(6-chloro-2H-chromen-3-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 72912852
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
1-(6-chloro-2H-chromene-3-carbonyl)-1,4-diazepan-5-one
CID 62046256
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
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
(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983632
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
(6-chloro-2H-chromen-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814626
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
(1S,5R)-3-(6-chloro-2H-chromene-3-carbonyl)-3,9-diazabicyclo[3.3.2]decan-10-one
CID 90653520

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 134005447) is (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is RWVXEIPAOSHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c18-14-1-2-15-12(10-14)9-13(11-21-15)16(20)19-5-3-17(4-6-19)22-7-8-23-17/h1-2,9-10H,3-8,11H2.
What are the key properties of (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 335.79 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 134005447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).