N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C16H15NO2 — CID 158535846

IUPACN-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCCC1=O
InChIInChI=1S/C16H15NO2/c1-16(6-2-3-14(16)18)17-15(19)11-5-4-10-12-7-9(12)8-13(10)11/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyHNXYBUBUECLRQR-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.12
Rot. Bonds2

About N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 158535846) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID158535846
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCCC1=O
InChIInChI=1S/C16H15NO2/c1-16(6-2-3-14(16)18)17-15(19)11-5-4-10-12-7-9(12)8-13(10)11/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyHNXYBUBUECLRQR-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-2-oxocyclopentyl)pentalene-1-carboxamide
CID 141293037
N-[1-(methylcarbamoyl)cyclopentyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 157762883

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 158535846) is N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC1(NC(=O)C2=C3C=C4CC4=C3C=C2)CCCC1=O.
What is the InChIKey of N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is HNXYBUBUECLRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(6-2-3-14(16)18)17-15(19)11-5-4-10-12-7-9(12)8-13(10)11/h4-5,8H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-methyl-2-oxocyclopentyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.12, 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)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 158535846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).