2-(methylamino)cycloheptan-1-one

C8H15NO — CID 20644276

IUPAC2-(methylamino)cycloheptan-1-one
SMILESCNC1CCCCCC1=O
InChIInChI=1S/C8H15NO/c1-9-7-5-3-2-4-6-8(7)10/h7,9H,2-6H2,1H3
InChIKeyITJWCNLTRUSBHA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds1

About 2-(methylamino)cycloheptan-1-one

2-(methylamino)cycloheptan-1-one (PubChem CID 20644276) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(methylamino)cycloheptan-1-one.

Molecular Properties

Compound Name2-(methylamino)cycloheptan-1-one
PubChem CID20644276
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(methylamino)cycloheptan-1-one
SMILESCNC1CCCCCC1=O
InChIInChI=1S/C8H15NO/c1-9-7-5-3-2-4-6-8(7)10/h7,9H,2-6H2,1H3
InChIKeyITJWCNLTRUSBHA-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)cycloheptan-1-one?
The IUPAC name of 2-(methylamino)cycloheptan-1-one (CID 20644276) is 2-(methylamino)cycloheptan-1-one.
What is the SMILES notation for 2-(methylamino)cycloheptan-1-one?
The canonical SMILES for 2-(methylamino)cycloheptan-1-one is CNC1CCCCCC1=O.
What is the InChIKey of 2-(methylamino)cycloheptan-1-one?
The InChIKey is ITJWCNLTRUSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-7-5-3-2-4-6-8(7)10/h7,9H,2-6H2,1H3.
What are the key properties of 2-(methylamino)cycloheptan-1-one?
2-(methylamino)cycloheptan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)cycloheptan-1-one is sourced from PubChem (CID 20644276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).