2-pyrrolidin-2-ylcycloheptan-1-one

C11H19NO — CID 20552434

IUPAC2-pyrrolidin-2-ylcycloheptan-1-one
SMILESO=C1CCCCCC1C1CCCN1
InChIInChI=1S/C11H19NO/c13-11-7-3-1-2-5-9(11)10-6-4-8-12-10/h9-10,12H,1-8H2
InChIKeyMXOTWDPPUSBIIS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds1

About 2-pyrrolidin-2-ylcycloheptan-1-one

2-pyrrolidin-2-ylcycloheptan-1-one (PubChem CID 20552434) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylcycloheptan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-2-ylcycloheptan-1-one
PubChem CID20552434
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-pyrrolidin-2-ylcycloheptan-1-one
SMILESO=C1CCCCCC1C1CCCN1
InChIInChI=1S/C11H19NO/c13-11-7-3-1-2-5-9(11)10-6-4-8-12-10/h9-10,12H,1-8H2
InChIKeyMXOTWDPPUSBIIS-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylcycloheptan-1-one?
The IUPAC name of 2-pyrrolidin-2-ylcycloheptan-1-one (CID 20552434) is 2-pyrrolidin-2-ylcycloheptan-1-one.
What is the SMILES notation for 2-pyrrolidin-2-ylcycloheptan-1-one?
The canonical SMILES for 2-pyrrolidin-2-ylcycloheptan-1-one is O=C1CCCCCC1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylcycloheptan-1-one?
The InChIKey is MXOTWDPPUSBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-7-3-1-2-5-9(11)10-6-4-8-12-10/h9-10,12H,1-8H2.
What are the key properties of 2-pyrrolidin-2-ylcycloheptan-1-one?
2-pyrrolidin-2-ylcycloheptan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylcycloheptan-1-one is sourced from PubChem (CID 20552434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).