cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone

C13H21NO — CID 106655320

IUPACcyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCCCC2)CCNC1
InChIInChI=1S/C13H21NO/c1-13(8-9-14-10-13)12(15)11-6-4-2-3-5-7-11/h6,14H,2-5,7-10H2,1H3
InChIKeySONVXHLAAALBDV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds2

About cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone

cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 106655320) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone
PubChem CID106655320
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCCCC2)CCNC1
InChIInChI=1S/C13H21NO/c1-13(8-9-14-10-13)12(15)11-6-4-2-3-5-7-11/h6,14H,2-5,7-10H2,1H3
InChIKeySONVXHLAAALBDV-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone (CID 106655320) is cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)C2=CCCCCC2)CCNC1.
What is the InChIKey of cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is SONVXHLAAALBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(8-9-14-10-13)12(15)11-6-4-2-3-5-7-11/h6,14H,2-5,7-10H2,1H3.
What are the key properties of cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone?
cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).