N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide

C18H18N2O2 — CID 94008914

IUPACN-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H18N2O2/c21-16-8-7-12-3-1-2-4-14(12)17(16)18(22)20-19-15-10-11-5-6-13(15)9-11/h1-4,7-8,11,13,21H,5-6,9-10H2,(H,20,22)/b19-15-/t11-,13+/m0/s1
InChIKeyICTBSQKWFJAACR-XPMKOXOXSA-N
MW294.35 g/mol
LogP3.45
Rot. Bonds2

About N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide

N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide (PubChem CID 94008914) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide
PubChem CID94008914
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H18N2O2/c21-16-8-7-12-3-1-2-4-14(12)17(16)18(22)20-19-15-10-11-5-6-13(15)9-11/h1-4,7-8,11,13,21H,5-6,9-10H2,(H,20,22)/b19-15-/t11-,13+/m0/s1
InChIKeyICTBSQKWFJAACR-XPMKOXOXSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide (CID 94008914) is N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide is O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is ICTBSQKWFJAACR-XPMKOXOXSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-16-8-7-12-3-1-2-4-14(12)17(16)18(22)20-19-15-10-11-5-6-13(15)9-11/h1-4,7-8,11,13,21H,5-6,9-10H2,(H,20,22)/b19-15-/t11-,13+/m0/s1.
What are the key properties of N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide?
N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 94008914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).