2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone

C12H17NO — CID 139030391

IUPAC2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone
SMILESO=C(C1=CC2CCC1C2)N1CCCC1
InChIInChI=1S/C12H17NO/c14-12(13-5-1-2-6-13)11-8-9-3-4-10(11)7-9/h8-10H,1-7H2
InChIKeyGSJJSOSXLPSXMZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.97
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone

2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone (PubChem CID 139030391) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone
PubChem CID139030391
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone
SMILESO=C(C1=CC2CCC1C2)N1CCCC1
InChIInChI=1S/C12H17NO/c14-12(13-5-1-2-6-13)11-8-9-3-4-10(11)7-9/h8-10H,1-7H2
InChIKeyGSJJSOSXLPSXMZ-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone (CID 139030391) is 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone is O=C(C1=CC2CCC1C2)N1CCCC1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone?
The InChIKey is GSJJSOSXLPSXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12(13-5-1-2-6-13)11-8-9-3-4-10(11)7-9/h8-10H,1-7H2.
What are the key properties of 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone?
2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone has a molecular weight of 191.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-2-enyl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 139030391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).