(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C20H26N2O4 — CID 97124790

IUPAC(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc2c(c1)CCCO2)N1CC[C@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C20H26N2O4/c23-11-10-21-8-2-6-20(19(21)25)7-9-22(14-20)18(24)16-4-5-17-15(13-16)3-1-12-26-17/h4-5,13,23H,1-3,6-12,14H2/t20-/m1/s1
InChIKeyDCJGVUOKIDUARC-HXUWFJFHSA-N
MW358.44 g/mol
LogP1.46
Rot. Bonds3

About (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97124790) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97124790
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc2c(c1)CCCO2)N1CC[C@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C20H26N2O4/c23-11-10-21-8-2-6-20(19(21)25)7-9-22(14-20)18(24)16-4-5-17-15(13-16)3-1-12-26-17/h4-5,13,23H,1-3,6-12,14H2/t20-/m1/s1
InChIKeyDCJGVUOKIDUARC-HXUWFJFHSA-N
XLogP1.46
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140470
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CID 175642802
(5R)-9-(3,4-dihydro-2H-chromene-6-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 125174105
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
(5S)-2-(1,3-benzodioxole-5-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113655
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
3,7-bis(3,4-dihydro-2H-chromene-6-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142768959
(5R)-7-(2-hydroxyethyl)-2-(1,2,5-trimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119188
(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148031
(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113542
7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861988
7-(2-hydroxyethyl)-2-[5-(methoxymethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72902518

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97124790) is (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccc2c(c1)CCCO2)N1CC[C@]2(CCCN(CCO)C2=O)C1.
What is the InChIKey of (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DCJGVUOKIDUARC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-11-10-21-8-2-6-20(19(21)25)7-9-22(14-20)18(24)16-4-5-17-15(13-16)3-1-12-26-17/h4-5,13,23H,1-3,6-12,14H2/t20-/m1/s1.
What are the key properties of (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97124790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).