4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile

C17H24N4O2 — CID 97149326

IUPAC4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCn1cc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)cc1C#N
InChIInChI=1S/C17H24N4O2/c1-19-11-14(9-15(19)10-18)12-20-6-4-17(13-20)3-2-5-21(7-8-22)16(17)23/h9,11,22H,2-8,12-13H2,1H3/t17-/m0/s1
InChIKeyRIYVSXZCSZBQDG-KRWDZBQOSA-N
MW316.40 g/mol
LogP0.70
Rot. Bonds4

About 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile

4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 97149326) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID97149326
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCn1cc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)cc1C#N
InChIInChI=1S/C17H24N4O2/c1-19-11-14(9-15(19)10-18)12-20-6-4-17(13-20)3-2-5-21(7-8-22)16(17)23/h9,11,22H,2-8,12-13H2,1H3/t17-/m0/s1
InChIKeyRIYVSXZCSZBQDG-KRWDZBQOSA-N
XLogP0.70
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72894349
4-[(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)methyl]-1-methylpyrrole-2-carbonitrile
CID 70759200
2-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 97119587
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72927024
2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843018
7-(2-hydroxyethyl)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 86285913
4-[(3-hexyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-1-methylpyrrole-2-carbonitrile
CID 70735007
5-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97148508
(4R)-8-[(5-cyano-1-methylpyrrol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97124838
(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103203301
4-[(1,3-dihydroxypropan-2-ylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203356

Frequently Asked Questions

What is the IUPAC name of 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile (CID 97149326) is 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile is Cn1cc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)cc1C#N.
What is the InChIKey of 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is RIYVSXZCSZBQDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-11-14(9-15(19)10-18)12-20-6-4-17(13-20)3-2-5-21(7-8-22)16(17)23/h9,11,22H,2-8,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 316.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 97149326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).