2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone

C16H27NO2 — CID 79546050

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)CC1CCCN1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H27NO2/c1-11(18)7-15-3-2-6-17(15)16(19)10-14-9-12-4-5-13(14)8-12/h11-15,18H,2-10H2,1H3
InChIKeyBSFAHGFBLQTALE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone (PubChem CID 79546050) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
PubChem CID79546050
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)CC1CCCN1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H27NO2/c1-11(18)7-15-3-2-6-17(15)16(19)10-14-9-12-4-5-13(14)8-12/h11-15,18H,2-10H2,1H3
InChIKeyBSFAHGFBLQTALE-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216258
3-amino-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119766494
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 119766483
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119766499
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]ethanone
CID 119766487
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 51143377

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone (CID 79546050) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone is CC(O)CC1CCCN1C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BSFAHGFBLQTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(18)7-15-3-2-6-17(15)16(19)10-14-9-12-4-5-13(14)8-12/h11-15,18H,2-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 265.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 79546050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).