(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C20H24N2O2 — CID 97395253

IUPAC(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1
InChIInChI=1S/C20H24N2O2/c1-21-11-5-9-18(21)19(23)22-12-6-10-20(15-22)13-17(14-24-20)16-7-3-2-4-8-16/h2-5,7-9,11,17H,6,10,12-15H2,1H3/t17-,20-/m0/s1
InChIKeyYGACIMYGOSVJPC-PXNSSMCTSA-N
MW324.42 g/mol
LogP3.20
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97395253) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97395253
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1
InChIInChI=1S/C20H24N2O2/c1-21-11-5-9-18(21)19(23)22-12-6-10-20(15-22)13-17(14-24-20)16-7-3-2-4-8-16/h2-5,7-9,11,17H,6,10,12-15H2,1H3/t17-,20-/m0/s1
InChIKeyYGACIMYGOSVJPC-PXNSSMCTSA-N
XLogP3.20
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 97486705
(1-methylpyrrol-2-yl)-[3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856649
furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134074970
(1-methylpyrrol-2-yl)-(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 155901251
(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385582
3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071270
(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131656576
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-methylimidazol-4-yl)methanone
CID 97395226
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(1-methylpyrrol-2-yl)methanone
CID 134070386
(5-methylpyrazin-2-yl)-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134078916
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 120815383

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97395253) is (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is YGACIMYGOSVJPC-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21-11-5-9-18(21)19(23)22-12-6-10-20(15-22)13-17(14-24-20)16-7-3-2-4-8-16/h2-5,7-9,11,17H,6,10,12-15H2,1H3/t17-,20-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97395253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).