N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C17H16N2O2 — CID 159389022

IUPACN-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CC=CC1
InChIInChI=1S/C17H16N2O2/c1-18-16(21)17(6-2-3-7-17)19-15(20)12-5-4-11-13-8-10(13)9-14(11)12/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyLLWKCJONEIMAQE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 159389022) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID159389022
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CC=CC1
InChIInChI=1S/C17H16N2O2/c1-18-16(21)17(6-2-3-7-17)19-15(20)12-5-4-11-13-8-10(13)9-14(11)12/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyLLWKCJONEIMAQE-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 123182383
CID 123182383
CID 141292850
CID 141292850
CID 141293079
CID 141293079
CID 141293089
CID 141293089
CID 141293160
CID 141293160
CID 141293161
CID 141293161
CID 157312477
CID 157312477
CID 157762883
CID 157762883
CID 158315875
CID 158315875
CID 159077853
CID 159077853
CID 159761970
CID 159761970
CID 160223192
CID 160223192

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 159389022) is N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CNC(=O)C1(NC(=O)C2=C3C=C4CC4=C3C=C2)CC=CC1.
What is the InChIKey of N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is LLWKCJONEIMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-18-16(21)17(6-2-3-7-17)19-15(20)12-5-4-11-13-8-10(13)9-14(11)12/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 159389022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).