(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C15H19NO2 — CID 97374277

IUPAC(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCc1cccc(C(=O)N2CC3(CCCCO3)C2)c1
InChIInChI=1S/C15H19NO2/c1-12-5-4-6-13(9-12)14(17)16-10-15(11-16)7-2-3-8-18-15/h4-6,9H,2-3,7-8,10-11H2,1H3
InChIKeyZZECJILLNUVYJA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.39
Rot. Bonds1

About (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 97374277) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID97374277
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCc1cccc(C(=O)N2CC3(CCCCO3)C2)c1
InChIInChI=1S/C15H19NO2/c1-12-5-4-6-13(9-12)14(17)16-10-15(11-16)7-2-3-8-18-15/h4-6,9H,2-3,7-8,10-11H2,1H3
InChIKeyZZECJILLNUVYJA-UHFFFAOYSA-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)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(3-methylphenyl)methanone
CID 131692948
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
[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
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 97374277) is (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is Cc1cccc(C(=O)N2CC3(CCCCO3)C2)c1.
What is the InChIKey of (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is ZZECJILLNUVYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-5-4-6-13(9-12)14(17)16-10-15(11-16)7-2-3-8-18-15/h4-6,9H,2-3,7-8,10-11H2,1H3.
What are the key properties of (3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
(3-methylphenyl)-(5-oxa-2-azaspiro[3.5]nonan-2-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)-(5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 97374277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).