3-[methyl(propan-2-yl)amino]cyclopentan-1-one

C9H17NO — CID 79643858

IUPAC3-[methyl(propan-2-yl)amino]cyclopentan-1-one
SMILESCC(C)N(C)C1CCC(=O)C1
InChIInChI=1S/C9H17NO/c1-7(2)10(3)8-4-5-9(11)6-8/h7-8H,4-6H2,1-3H3
InChIKeyREQOGLXDQHELFT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

About 3-[methyl(propan-2-yl)amino]cyclopentan-1-one

3-[methyl(propan-2-yl)amino]cyclopentan-1-one (PubChem CID 79643858) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]cyclopentan-1-one
PubChem CID79643858
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[methyl(propan-2-yl)amino]cyclopentan-1-one
SMILESCC(C)N(C)C1CCC(=O)C1
InChIInChI=1S/C9H17NO/c1-7(2)10(3)8-4-5-9(11)6-8/h7-8H,4-6H2,1-3H3
InChIKeyREQOGLXDQHELFT-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]cyclopentan-1-one?
The IUPAC name of 3-[methyl(propan-2-yl)amino]cyclopentan-1-one (CID 79643858) is 3-[methyl(propan-2-yl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]cyclopentan-1-one is CC(C)N(C)C1CCC(=O)C1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]cyclopentan-1-one?
The InChIKey is REQOGLXDQHELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10(3)8-4-5-9(11)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]cyclopentan-1-one?
3-[methyl(propan-2-yl)amino]cyclopentan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]cyclopentan-1-one is sourced from PubChem (CID 79643858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).