cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone

C13H23NO — CID 164630657

IUPACcycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCCN1C(=O)C1CCCCCC1
InChIInChI=1S/C13H23NO/c1-11-7-6-10-14(11)13(15)12-8-4-2-3-5-9-12/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeyGEFGYCQFRGFHIC-NSHDSACASA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds1

About cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone

cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 164630657) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone
PubChem CID164630657
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCCN1C(=O)C1CCCCCC1
InChIInChI=1S/C13H23NO/c1-11-7-6-10-14(11)13(15)12-8-4-2-3-5-9-12/h11-12H,2-10H2,1H3/t11-/m0/s1
InChIKeyGEFGYCQFRGFHIC-NSHDSACASA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone (CID 164630657) is cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone is C[C@H]1CCCN1C(=O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is GEFGYCQFRGFHIC-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO/c1-11-7-6-10-14(11)13(15)12-8-4-2-3-5-9-12/h11-12H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone?
cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 209.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[(2S)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 164630657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).