N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C17H16N2O2 — CID 123182383

IUPACN-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=CC=C3C2=CC2=CC23)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/h2-5,8-9,13H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyYNSHUKNKEXHTCX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.30
Rot. Bonds3

About N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123182383) 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(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123182383
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(9),3,5,7-tetraene-7-carboxamide
SMILESCNC(=O)C1(NC(=O)C2=CC=C3C2=CC2=CC23)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/h2-5,8-9,13H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyYNSHUKNKEXHTCX-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

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CID 123563798
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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(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123182383) is N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-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(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CNC(=O)C1(NC(=O)C2=CC=C3C2=CC2=CC23)CC=CC1.
What is the InChIKey of N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is YNSHUKNKEXHTCX-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/h2-5,8-9,13H,6-7H2,1H3,(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(9),3,5,7-tetraene-7-carboxamide?
N-[1-(methylcarbamoyl)cyclopent-3-en-1-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.30, 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(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123182383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).