2-benzyl-2-(methylamino)cyclopropan-1-one

C11H13NO — CID 137398980

IUPAC2-benzyl-2-(methylamino)cyclopropan-1-one
SMILESCNC1(Cc2ccccc2)CC1=O
InChIInChI=1S/C11H13NO/c1-12-11(8-10(11)13)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKeyYCDMDIHZYKHTRZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds3

About 2-benzyl-2-(methylamino)cyclopropan-1-one

2-benzyl-2-(methylamino)cyclopropan-1-one (PubChem CID 137398980) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-benzyl-2-(methylamino)cyclopropan-1-one.

Molecular Properties

Compound Name2-benzyl-2-(methylamino)cyclopropan-1-one
PubChem CID137398980
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-benzyl-2-(methylamino)cyclopropan-1-one
SMILESCNC1(Cc2ccccc2)CC1=O
InChIInChI=1S/C11H13NO/c1-12-11(8-10(11)13)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKeyYCDMDIHZYKHTRZ-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(methylamino)cyclopropan-1-one?
The IUPAC name of 2-benzyl-2-(methylamino)cyclopropan-1-one (CID 137398980) is 2-benzyl-2-(methylamino)cyclopropan-1-one.
What is the SMILES notation for 2-benzyl-2-(methylamino)cyclopropan-1-one?
The canonical SMILES for 2-benzyl-2-(methylamino)cyclopropan-1-one is CNC1(Cc2ccccc2)CC1=O.
What is the InChIKey of 2-benzyl-2-(methylamino)cyclopropan-1-one?
The InChIKey is YCDMDIHZYKHTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-11(8-10(11)13)7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3.
What are the key properties of 2-benzyl-2-(methylamino)cyclopropan-1-one?
2-benzyl-2-(methylamino)cyclopropan-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(methylamino)cyclopropan-1-one is sourced from PubChem (CID 137398980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).