N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C16H22N2O3 — CID 131927808

IUPACN-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCn1cccc1CCNC(=O)C1CC(=O)OC12CCCC2
InChIInChI=1S/C16H22N2O3/c1-18-10-4-5-12(18)6-9-17-15(20)13-11-14(19)21-16(13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,17,20)
InChIKeyUITDVVVXHHZZMU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 131927808) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID131927808
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCn1cccc1CCNC(=O)C1CC(=O)OC12CCCC2
InChIInChI=1S/C16H22N2O3/c1-18-10-4-5-12(18)6-9-17-15(20)13-11-14(19)21-16(13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,17,20)
InChIKeyUITDVVVXHHZZMU-UHFFFAOYSA-N
XLogP1.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 131927808) is N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is Cn1cccc1CCNC(=O)C1CC(=O)OC12CCCC2.
What is the InChIKey of N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is UITDVVVXHHZZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18-10-4-5-12(18)6-9-17-15(20)13-11-14(19)21-16(13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 131927808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).