2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

C19H27NO — CID 132989549

IUPAC2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCC(C(=O)c1ccc2c(c1)CCCC2)N1CCCC1
InChIInChI=1S/C19H27NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKeyMMIKQWIZKBYLKZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.01
Rot. Bonds5

About 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (PubChem CID 132989549) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
PubChem CID132989549
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCC(C(=O)c1ccc2c(c1)CCCC2)N1CCCC1
InChIInChI=1S/C19H27NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKeyMMIKQWIZKBYLKZ-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The IUPAC name of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (CID 132989549) is 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is CCCC(C(=O)c1ccc2c(c1)CCCC2)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The InChIKey is MMIKQWIZKBYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 132989549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).