[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)

C13H16NORb — CID 143370731

IUPAC[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)
SMILESCc1ccc(C2(CC([NH-])=O)CCC2)cc1.[Rb+]
InChIInChI=1S/C13H17NO.Rb/c1-10-3-5-11(6-4-10)13(7-2-8-13)9-12(14)15;/h3-6H,2,7-9H2,1H3,(H2,14,15);/q;+1/p-1
InChIKeySETINBDPLMWECS-UHFFFAOYSA-M
MW287.75 g/mol
LogP0.39
Rot. Bonds3

About [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)

[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+) (PubChem CID 143370731) has the molecular formula C13H16NORb and a molecular weight of 287.75 g/mol. Its IUPAC name is [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+).

Molecular Properties

Compound Name[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)
PubChem CID143370731
Molecular FormulaC13H16NORb
Molecular Weight287.75 g/mol
Exact Mass287.03
IUPAC Name[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)
SMILESCc1ccc(C2(CC([NH-])=O)CCC2)cc1.[Rb+]
InChIInChI=1S/C13H17NO.Rb/c1-10-3-5-11(6-4-10)13(7-2-8-13)9-12(14)15;/h3-6H,2,7-9H2,1H3,(H2,14,15);/q;+1/p-1
InChIKeySETINBDPLMWECS-UHFFFAOYSA-M
XLogP0.39
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[1-(4-methylphenyl)cyclopentyl]acetamide
CID 59020002
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
CID 144672012
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
N-methyl-N-[[1-(4-methylphenyl)cyclopentyl]methyl]acetamide
CID 59019943
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
2-[1-(4-aminophenyl)cyclobutyl]acetic acid
CID 21077925
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
CID 115059058
1-[1-(isocyanomethyl)cyclopentyl]-4-methylbenzene
CID 105452335
2-[1-(4-methylphenyl)cyclopentyl]acetonitrile
CID 90274586

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)?
The IUPAC name of [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+) (CID 143370731) is [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+).
What is the SMILES notation for [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)?
The canonical SMILES for [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+) is Cc1ccc(C2(CC([NH-])=O)CCC2)cc1.[Rb+].
What is the InChIKey of [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)?
The InChIKey is SETINBDPLMWECS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO.Rb/c1-10-3-5-11(6-4-10)13(7-2-8-13)9-12(14)15;/h3-6H,2,7-9H2,1H3,(H2,14,15);/q;+1/p-1.
What are the key properties of [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+)?
[2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+) has a molecular weight of 287.75 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-methylphenyl)cyclobutyl]acetyl]azanide;rubidium(1+) is sourced from PubChem (CID 143370731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).