2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C16H26N2O2 — CID 62037838

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(CCO)C2CCCC2)c(C)n1C
InChIInChI=1S/C16H26N2O2/c1-12-10-15(13(2)17(12)3)16(20)11-18(8-9-19)14-6-4-5-7-14/h10,14,19H,4-9,11H2,1-3H3
InChIKeyJXNWXUBSKLOETF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.06
Rot. Bonds6

About 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 62037838) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID62037838
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(CCO)C2CCCC2)c(C)n1C
InChIInChI=1S/C16H26N2O2/c1-12-10-15(13(2)17(12)3)16(20)11-18(8-9-19)14-6-4-5-7-14/h10,14,19H,4-9,11H2,1-3H3
InChIKeyJXNWXUBSKLOETF-UHFFFAOYSA-N
XLogP2.06
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 62037838) is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN(CCO)C2CCCC2)c(C)n1C.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is JXNWXUBSKLOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-10-15(13(2)17(12)3)16(20)11-18(8-9-19)14-6-4-5-7-14/h10,14,19H,4-9,11H2,1-3H3.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62037838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).