7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

C14H23NO — CID 91286476

IUPAC7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(CN1CCCC1)C(=O)C2
InChIInChI=1S/C14H23NO/c1-13(2)11-5-6-14(13,12(16)9-11)10-15-7-3-4-8-15/h11H,3-10H2,1-2H3
InChIKeyAHLPTEKTSUWHSZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.48
Rot. Bonds2

About 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 91286476) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID91286476
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(CN1CCCC1)C(=O)C2
InChIInChI=1S/C14H23NO/c1-13(2)11-5-6-14(13,12(16)9-11)10-15-7-3-4-8-15/h11H,3-10H2,1-2H3
InChIKeyAHLPTEKTSUWHSZ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one (CID 91286476) is 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one is CC1(C)C2CCC1(CN1CCCC1)C(=O)C2.
What is the InChIKey of 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is AHLPTEKTSUWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2)11-5-6-14(13,12(16)9-11)10-15-7-3-4-8-15/h11H,3-10H2,1-2H3.
What are the key properties of 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(pyrrolidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 91286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).