(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H29N3O3 — CID 97148031

IUPAC(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1c(C)cc(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)c1C
InChIInChI=1S/C19H29N3O3/c1-4-22-14(2)12-16(15(22)3)17(24)21-9-7-19(13-21)6-5-8-20(10-11-23)18(19)25/h12,23H,4-11,13H2,1-3H3/t19-/m0/s1
InChIKeyNOLKLRRNQOEZLI-IBGZPJMESA-N
MW347.46 g/mol
LogP1.57
Rot. Bonds4

About (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97148031) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97148031
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1c(C)cc(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)c1C
InChIInChI=1S/C19H29N3O3/c1-4-22-14(2)12-16(15(22)3)17(24)21-9-7-19(13-21)6-5-8-20(10-11-23)18(19)25/h12,23H,4-11,13H2,1-3H3/t19-/m0/s1
InChIKeyNOLKLRRNQOEZLI-IBGZPJMESA-N
XLogP1.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(2-hydroxyethyl)-2-(1,2,5-trimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119188
(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
2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72896595
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
2-(4-chloro-1-methylpyrazole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72910141
(5S)-2-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97149486
2-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926033
(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96575497
2-(3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72920069
7-(2-hydroxyethyl)-2-[5-(methoxymethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72902518
(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124790

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97148031) is (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCn1c(C)cc(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)c1C.
What is the InChIKey of (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NOLKLRRNQOEZLI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-22-14(2)12-16(15(22)3)17(24)21-9-7-19(13-21)6-5-8-20(10-11-23)18(19)25/h12,23H,4-11,13H2,1-3H3/t19-/m0/s1.
What are the key properties of (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 347.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97148031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).