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

C14H23NO — CID 106655323

IUPACcyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2=CCCCCC2)CCNC1
InChIInChI=1S/C14H23NO/c1-2-14(9-10-15-11-14)13(16)12-7-5-3-4-6-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeyULMRZTTZLGQQLV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds3

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

cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 106655323) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID106655323
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namecyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2=CCCCCC2)CCNC1
InChIInChI=1S/C14H23NO/c1-2-14(9-10-15-11-14)13(16)12-7-5-3-4-6-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeyULMRZTTZLGQQLV-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.84
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-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone (CID 106655323) is cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)C2=CCCCCC2)CCNC1.
What is the InChIKey of cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is ULMRZTTZLGQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-14(9-10-15-11-14)13(16)12-7-5-3-4-6-8-12/h7,15H,2-6,8-11H2,1H3.
What are the key properties of cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).