3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one

C7H13NO — CID 129495426

IUPAC3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one
SMILESCN[C@H](C)C1CC(=O)C1
InChIInChI=1S/C7H13NO/c1-5(8-2)6-3-7(9)4-6/h5-6,8H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyNJXWPXDSMQVZFR-RXMQYKEDSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds2

About 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one

3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one (PubChem CID 129495426) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one
PubChem CID129495426
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one
SMILESCN[C@H](C)C1CC(=O)C1
InChIInChI=1S/C7H13NO/c1-5(8-2)6-3-7(9)4-6/h5-6,8H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyNJXWPXDSMQVZFR-RXMQYKEDSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one?
The IUPAC name of 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one (CID 129495426) is 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one.
What is the SMILES notation for 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one?
The canonical SMILES for 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one is CN[C@H](C)C1CC(=O)C1.
What is the InChIKey of 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one?
The InChIKey is NJXWPXDSMQVZFR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(8-2)6-3-7(9)4-6/h5-6,8H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one?
3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one has a molecular weight of 127.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one is sourced from PubChem (CID 129495426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).