N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide

C15H15NO2 — CID 141293037

IUPACN-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide
SMILESCC1(NC(=O)C2=C3C=CC=C3C=C2)CCCC1=O
InChIInChI=1S/C15H15NO2/c1-15(9-3-6-13(15)17)16-14(18)12-8-7-10-4-2-5-11(10)12/h2,4-5,7-8H,3,6,9H2,1H3,(H,16,18)
InChIKeyXUUSQDZYGHRIBP-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.98
Rot. Bonds2

About N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide

N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide (PubChem CID 141293037) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide
PubChem CID141293037
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide
SMILESCC1(NC(=O)C2=C3C=CC=C3C=C2)CCCC1=O
InChIInChI=1S/C15H15NO2/c1-15(9-3-6-13(15)17)16-14(18)12-8-7-10-4-2-5-11(10)12/h2,4-5,7-8H,3,6,9H2,1H3,(H,16,18)
InChIKeyXUUSQDZYGHRIBP-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-1-azaspiro[4.5]deca-7,9-diene-2,6-dione
CID 158292836
N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 158535846

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide?
The IUPAC name of N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide (CID 141293037) is N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide is CC1(NC(=O)C2=C3C=CC=C3C=C2)CCCC1=O.
What is the InChIKey of N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide?
The InChIKey is XUUSQDZYGHRIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(9-3-6-13(15)17)16-14(18)12-8-7-10-4-2-5-11(10)12/h2,4-5,7-8H,3,6,9H2,1H3,(H,16,18).
What are the key properties of N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide?
N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide is sourced from PubChem (CID 141293037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).