1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone

C10H17NO — CID 126609717

IUPAC1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone
SMILESCNC1CCCC=CC1C(C)=O
InChIInChI=1S/C10H17NO/c1-8(12)9-6-4-3-5-7-10(9)11-2/h4,6,9-11H,3,5,7H2,1-2H3
InChIKeyBWEDHQSIDMATOB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds2

About 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone

1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone (PubChem CID 126609717) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone
PubChem CID126609717
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone
SMILESCNC1CCCC=CC1C(C)=O
InChIInChI=1S/C10H17NO/c1-8(12)9-6-4-3-5-7-10(9)11-2/h4,6,9-11H,3,5,7H2,1-2H3
InChIKeyBWEDHQSIDMATOB-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone?
The IUPAC name of 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone (CID 126609717) is 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone?
The canonical SMILES for 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone is CNC1CCCC=CC1C(C)=O.
What is the InChIKey of 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone?
The InChIKey is BWEDHQSIDMATOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)9-6-4-3-5-7-10(9)11-2/h4,6,9-11H,3,5,7H2,1-2H3.
What are the key properties of 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone?
1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methylamino)cyclohept-2-en-1-yl]ethanone is sourced from PubChem (CID 126609717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).