2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone

C19H21NO — CID 102893582

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
SMILESO=C(CC1NCC2CCCC21)c1cccc2ccccc12
InChIInChI=1S/C19H21NO/c21-19(11-18-16-9-4-7-14(16)12-20-18)17-10-3-6-13-5-1-2-8-15(13)17/h1-3,5-6,8,10,14,16,18,20H,4,7,9,11-12H2
InChIKeyADHBKDIPIOLYGI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.80
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone (PubChem CID 102893582) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
PubChem CID102893582
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
SMILESO=C(CC1NCC2CCCC21)c1cccc2ccccc12
InChIInChI=1S/C19H21NO/c21-19(11-18-16-9-4-7-14(16)12-20-18)17-10-3-6-13-5-1-2-8-15(13)17/h1-3,5-6,8,10,14,16,18,20H,4,7,9,11-12H2
InChIKeyADHBKDIPIOLYGI-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone (CID 102893582) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone is O=C(CC1NCC2CCCC21)c1cccc2ccccc12.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone?
The InChIKey is ADHBKDIPIOLYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(11-18-16-9-4-7-14(16)12-20-18)17-10-3-6-13-5-1-2-8-15(13)17/h1-3,5-6,8,10,14,16,18,20H,4,7,9,11-12H2.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone has a molecular weight of 279.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone is sourced from PubChem (CID 102893582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).