3-amino-3-(4-methylphenyl)cyclobutan-1-one

C11H13NO — CID 115014531

IUPAC3-amino-3-(4-methylphenyl)cyclobutan-1-one
SMILESCc1ccc(C2(N)CC(=O)C2)cc1
InChIInChI=1S/C11H13NO/c1-8-2-4-9(5-3-8)11(12)6-10(13)7-11/h2-5H,6-7,12H2,1H3
InChIKeyWDMMXVPOVPNLEI-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.51
Rot. Bonds1

About 3-amino-3-(4-methylphenyl)cyclobutan-1-one

3-amino-3-(4-methylphenyl)cyclobutan-1-one (PubChem CID 115014531) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-amino-3-(4-methylphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-amino-3-(4-methylphenyl)cyclobutan-1-one
PubChem CID115014531
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-amino-3-(4-methylphenyl)cyclobutan-1-one
SMILESCc1ccc(C2(N)CC(=O)C2)cc1
InChIInChI=1S/C11H13NO/c1-8-2-4-9(5-3-8)11(12)6-10(13)7-11/h2-5H,6-7,12H2,1H3
InChIKeyWDMMXVPOVPNLEI-UHFFFAOYSA-N
XLogP1.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
3-(4-methylphenyl)oxetan-3-amine;hydrochloride
CID 53257004
4-(4-methylphenyl)piperidin-4-amine
CID 70264998
3,3-bis(4-methylphenyl)cyclopentan-1-one
CID 58095636
4,4-bis(4-methylphenyl)cyclohexan-1-one
CID 58095705
1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine
CID 83673853
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
2,2-dichloro-3-methyl-3-(4-methylphenyl)cyclobutan-1-one
CID 11831622
ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143873127
2,2-bis(4-methylphenyl)oxirane
CID 12692604
3-amino-3-(2-chlorophenyl)cyclobutan-1-one
CID 115020473

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methylphenyl)cyclobutan-1-one?
The IUPAC name of 3-amino-3-(4-methylphenyl)cyclobutan-1-one (CID 115014531) is 3-amino-3-(4-methylphenyl)cyclobutan-1-one.
What is the SMILES notation for 3-amino-3-(4-methylphenyl)cyclobutan-1-one?
The canonical SMILES for 3-amino-3-(4-methylphenyl)cyclobutan-1-one is Cc1ccc(C2(N)CC(=O)C2)cc1.
What is the InChIKey of 3-amino-3-(4-methylphenyl)cyclobutan-1-one?
The InChIKey is WDMMXVPOVPNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-2-4-9(5-3-8)11(12)6-10(13)7-11/h2-5H,6-7,12H2,1H3.
What are the key properties of 3-amino-3-(4-methylphenyl)cyclobutan-1-one?
3-amino-3-(4-methylphenyl)cyclobutan-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methylphenyl)cyclobutan-1-one is sourced from PubChem (CID 115014531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).