N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C20H17NO2 — CID 141293006

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCOc1ccc(C2(NC(=O)C3=C4C=C5CC5=C4C=C3)CC2)cc1
InChIInChI=1S/C20H17NO2/c1-23-14-4-2-13(3-5-14)20(8-9-20)21-19(22)16-7-6-15-17-10-12(17)11-18(15)16/h2-7,11H,8-10H2,1H3,(H,21,22)
InChIKeyNGHWQUBFKRQTOM-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293006) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293006
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCOc1ccc(C2(NC(=O)C3=C4C=C5CC5=C4C=C3)CC2)cc1
InChIInChI=1S/C20H17NO2/c1-23-14-4-2-13(3-5-14)20(8-9-20)21-19(22)16-7-6-15-17-10-12(17)11-18(15)16/h2-7,11H,8-10H2,1H3,(H,21,22)
InChIKeyNGHWQUBFKRQTOM-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293006) is N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is COc1ccc(C2(NC(=O)C3=C4C=C5CC5=C4C=C3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is NGHWQUBFKRQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-14-4-2-13(3-5-14)20(8-9-20)21-19(22)16-7-6-15-17-10-12(17)11-18(15)16/h2-7,11H,8-10H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).