[1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C19H24ClNO2 — CID 66662155

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCC1(C)CCOC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C19H24ClNO2/c1-17(2)10-12-23-19(17)9-11-21(13-19)16(22)18(7-8-18)14-3-5-15(20)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyMFDPOIHZMVFABE-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.79
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

[1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 66662155) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID66662155
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCC1(C)CCOC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C19H24ClNO2/c1-17(2)10-12-23-19(17)9-11-21(13-19)16(22)18(7-8-18)14-3-5-15(20)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyMFDPOIHZMVFABE-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone with MolForge

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Related Compounds

5-(1-(4-Chlorophenyl)cyclopentanecarbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790480
(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl(1-(4-chlorophenyl)cyclopentyl)methanone
CID 71795942
2-(4-chlorophenyl)-1-[(4R)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 99760519
2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 164630493
[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 164641166
2-(2-chloro-6-fluorophenyl)-1-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 110159818
3-(4-Chloro-3-fluorophenyl)-1-(3-(cyclopropylmethoxy)pyrrolidin-1-yl)propan-1-one
CID 121197462
2-(4-Chloro-2-fluorophenyl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methylpropan-1-one
CID 121523858
2-(4-chloro-2-fluorophenyl)-1-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-methylpropan-1-one
CID 129399680
2-(4-chloro-2-fluorophenyl)-1-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-methylpropan-1-one
CID 129399681
4-(4-chlorophenyl)-1-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 132354980
[4-(4-chlorophenyl)oxan-4-yl]-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]methanone
CID 137845967

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 66662155) is [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is CC1(C)CCOC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)C2.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is MFDPOIHZMVFABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-17(2)10-12-23-19(17)9-11-21(13-19)16(22)18(7-8-18)14-3-5-15(20)6-4-14/h3-6H,7-13H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 333.86 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-(4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 66662155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).