(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C15H19NO2 — CID 97374282

IUPAC(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCc1cccc(C(=O)N2CC[C@]3(CCCO3)C2)c1
InChIInChI=1S/C15H19NO2/c1-12-4-2-5-13(10-12)14(17)16-8-7-15(11-16)6-3-9-18-15/h2,4-5,10H,3,6-9,11H2,1H3/t15-/m1/s1
InChIKeyKOSIRTGJGCMGDX-OAHLLOKOSA-N
MW245.32 g/mol
LogP2.39
Rot. Bonds1

About (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97374282) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97374282
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCc1cccc(C(=O)N2CC[C@]3(CCCO3)C2)c1
InChIInChI=1S/C15H19NO2/c1-12-4-2-5-13(10-12)14(17)16-8-7-15(11-16)6-3-9-18-15/h2,4-5,10H,3,6-9,11H2,1H3/t15-/m1/s1
InChIKeyKOSIRTGJGCMGDX-OAHLLOKOSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 97374277
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 97125402
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
(3-methylphenyl)-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462207
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 124819663

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97374282) is (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is Cc1cccc(C(=O)N2CC[C@]3(CCCO3)C2)c1.
What is the InChIKey of (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is KOSIRTGJGCMGDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-4-2-5-13(10-12)14(17)16-8-7-15(11-16)6-3-9-18-15/h2,4-5,10H,3,6-9,11H2,1H3/t15-/m1/s1.
What are the key properties of (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 245.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97374282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).